2-ethenylidenepyrrole

C6H5N — CID 15272976

IUPAC2-ethenylidenepyrrole
SMILESC=C=C1C=CC=N1
InChIInChI=1S/C6H5N/c1-2-6-4-3-5-7-6/h3-5H,1H2
InChIKeyGJQWEXCKWCHPAJ-UHFFFAOYSA-N
MW91.11 g/mol
LogP1.30
Rot. Bonds

About 2-ethenylidenepyrrole

2-ethenylidenepyrrole (PubChem CID 15272976) has the molecular formula C6H5N and a molecular weight of 91.11 g/mol. Its IUPAC name is 2-ethenylidenepyrrole.

Molecular Properties

Compound Name2-ethenylidenepyrrole
PubChem CID15272976
Molecular FormulaC6H5N
Molecular Weight91.11 g/mol
Exact Mass91.04
IUPAC Name2-ethenylidenepyrrole
SMILESC=C=C1C=CC=N1
InChIInChI=1S/C6H5N/c1-2-6-4-3-5-7-6/h3-5H,1H2
InChIKeyGJQWEXCKWCHPAJ-UHFFFAOYSA-N
XLogP1.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.11
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylidenepyrrole?
The IUPAC name of 2-ethenylidenepyrrole (CID 15272976) is 2-ethenylidenepyrrole.
What is the SMILES notation for 2-ethenylidenepyrrole?
The canonical SMILES for 2-ethenylidenepyrrole is C=C=C1C=CC=N1.
What is the InChIKey of 2-ethenylidenepyrrole?
The InChIKey is GJQWEXCKWCHPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N/c1-2-6-4-3-5-7-6/h3-5H,1H2.
What are the key properties of 2-ethenylidenepyrrole?
2-ethenylidenepyrrole has a molecular weight of 91.11 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylidenepyrrole is sourced from PubChem (CID 15272976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).