2-ethenyl-2H-pyrrole

C6H7N — CID 174831397

IUPAC2-ethenyl-2H-pyrrole
SMILESC=CC1C=CC=N1
InChIInChI=1S/C6H7N/c1-2-6-4-3-5-7-6/h2-6H,1H2
InChIKeySOWSOJVEIGYMGR-UHFFFAOYSA-N
MW93.13 g/mol
LogP1.18
Rot. Bonds1

About 2-ethenyl-2H-pyrrole

2-ethenyl-2H-pyrrole (PubChem CID 174831397) has the molecular formula C6H7N and a molecular weight of 93.13 g/mol. Its IUPAC name is 2-ethenyl-2H-pyrrole.

Molecular Properties

Compound Name2-ethenyl-2H-pyrrole
PubChem CID174831397
Molecular FormulaC6H7N
Molecular Weight93.13 g/mol
Exact Mass93.06
IUPAC Name2-ethenyl-2H-pyrrole
SMILESC=CC1C=CC=N1
InChIInChI=1S/C6H7N/c1-2-6-4-3-5-7-6/h2-6H,1H2
InChIKeySOWSOJVEIGYMGR-UHFFFAOYSA-N
XLogP1.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.13
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,3-Dihydropyridine
CID 13347754
5-methyl-2H-pyrrole
CID 12554804
2-methyl-2H-pyrrole
CID 18970006
2,5-Dimethyl-2H-pyrrole
CID 21811124
2-(trifluoromethyl)-2H-pyrrole
CID 67621404
4-fluoro-2-methyl-2H-pyrrole
CID 148435383
4-Azaspiro[2.4]hepta-1,4,6-triene
CID 71445357
Pyrrole-spiro-pyrrole
CID 129739832
1-(2-fluoropyrrol-2-yl)-N-methylmethanimine
CID 89252040
2,3-dimethyl-2H-pyrrole
CID 14938985
2,2-Dimethylpyrrole
CID 57914006
2-(2H-pyrrol-2-yl)-2H-pyrrole
CID 58928042

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2H-pyrrole?
The IUPAC name of 2-ethenyl-2H-pyrrole (CID 174831397) is 2-ethenyl-2H-pyrrole.
What is the SMILES notation for 2-ethenyl-2H-pyrrole?
The canonical SMILES for 2-ethenyl-2H-pyrrole is C=CC1C=CC=N1.
What is the InChIKey of 2-ethenyl-2H-pyrrole?
The InChIKey is SOWSOJVEIGYMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N/c1-2-6-4-3-5-7-6/h2-6H,1H2.
What are the key properties of 2-ethenyl-2H-pyrrole?
2-ethenyl-2H-pyrrole has a molecular weight of 93.13 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2H-pyrrole is sourced from PubChem (CID 174831397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).