2-ethylidenepyrrole

C6H7N — CID 54219721

IUPAC2-ethylidenepyrrole
SMILESCC=C1C=CC=N1
InChIInChI=1S/C6H7N/c1-2-6-4-3-5-7-6/h2-5H,1H3
InChIKeyQBSIBWFRMTYLIT-UHFFFAOYSA-N
MW93.13 g/mol
LogP1.53
Rot. Bonds

About 2-ethylidenepyrrole

2-ethylidenepyrrole (PubChem CID 54219721) has the molecular formula C6H7N and a molecular weight of 93.13 g/mol. Its IUPAC name is 2-ethylidenepyrrole.

Molecular Properties

Compound Name2-ethylidenepyrrole
PubChem CID54219721
Molecular FormulaC6H7N
Molecular Weight93.13 g/mol
Exact Mass93.06
IUPAC Name2-ethylidenepyrrole
SMILESCC=C1C=CC=N1
InChIInChI=1S/C6H7N/c1-2-6-4-3-5-7-6/h2-5H,1H3
InChIKeyQBSIBWFRMTYLIT-UHFFFAOYSA-N
XLogP1.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.13
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethylidenepyrrole?
The IUPAC name of 2-ethylidenepyrrole (CID 54219721) is 2-ethylidenepyrrole.
What is the SMILES notation for 2-ethylidenepyrrole?
The canonical SMILES for 2-ethylidenepyrrole is CC=C1C=CC=N1.
What is the InChIKey of 2-ethylidenepyrrole?
The InChIKey is QBSIBWFRMTYLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N/c1-2-6-4-3-5-7-6/h2-5H,1H3.
What are the key properties of 2-ethylidenepyrrole?
2-ethylidenepyrrole has a molecular weight of 93.13 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidenepyrrole is sourced from PubChem (CID 54219721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).