1H-Pyrrole, 1-methyl-

• Formula: C₅H₇N
• Molecular weight: 81.1158
• IUPAC Standard InChI: InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3 Copy

  
• IUPAC Standard InChIKey: OXHNLMTVIGZXSG-UHFFFAOYSA-N Copy
• CAS Registry Number: 96-54-8
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Pyrrole, 1-methyl-; N-Methylpyrrole; 1-Methylpyrrole; 1-Methyl-1H-pyrrole; N-Methylpyrrol; 1-Methylpyrrol
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• Information on this page:
  • Reaction thermochemistry data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • Ion clustering data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Reaction thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
B - John E. Bartmess
RCD - Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C₅H₆N^- +  =

By formula: C₅H₆N^- + H⁺ = C₅H₇N

 +  = ( • )

By formula: Li⁺ + C₅H₇N = (Li⁺ • C₅H₇N)

 +  = ( • )

By formula: Na⁺ + C₅H₇N = (Na⁺ • C₅H₇N)

 +  = ( • )

By formula: K⁺ + C₅H₇N = (K⁺ • C₅H₇N)

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

DePuy, Kass, et al., 1988
DePuy, C.H.; Kass, S.R.; Bean, G.P., Formation and Reactions of Heteroaromatic Anions in the Gas Phase, J. Org. Chem., 1988, 53, 19, 4427, https://doi.org/10.1021/jo00254a001 . [all data]

Huang and Rodgers, 2002
Huang, H.; Rodgers, M.T., Sigma versus Pi interactions in alkali metal ion binding to azoles: Threshold collision-induced dissociation and ab initio theory studies, J. Phys. Chem. A, 2002, 106, 16, 4277, https://doi.org/10.1021/jp013630b . [all data]

Notes

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• Symbols used in this document:
  

  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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