1-ethenylpyrrole;1H-pyridin-2-one

C11H12N2O — CID 158036037

IUPAC1-ethenylpyrrole;1H-pyridin-2-one
SMILESC=Cn1cccc1.O=c1cccc[nH]1
InChIInChI=1S/C6H7N.C5H5NO/c1-2-7-5-3-4-6-7;7-5-3-1-2-4-6-5/h2-6H,1H2;1-4H,(H,6,7)
InChIKeyFHTGPNCGKDGWKI-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.96
Rot. Bonds1

About 1-ethenylpyrrole;1H-pyridin-2-one

1-ethenylpyrrole;1H-pyridin-2-one (PubChem CID 158036037) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-ethenylpyrrole;1H-pyridin-2-one.

Molecular Properties

Compound Name1-ethenylpyrrole;1H-pyridin-2-one
PubChem CID158036037
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1-ethenylpyrrole;1H-pyridin-2-one
SMILESC=Cn1cccc1.O=c1cccc[nH]1
InChIInChI=1S/C6H7N.C5H5NO/c1-2-7-5-3-4-6-7;7-5-3-1-2-4-6-5/h2-6H,1H2;1-4H,(H,6,7)
InChIKeyFHTGPNCGKDGWKI-UHFFFAOYSA-N
XLogP1.96
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-ethenylpyrrole;1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethenylpyrrole;1H-pyridin-2-one?
The IUPAC name of 1-ethenylpyrrole;1H-pyridin-2-one (CID 158036037) is 1-ethenylpyrrole;1H-pyridin-2-one.
What is the SMILES notation for 1-ethenylpyrrole;1H-pyridin-2-one?
The canonical SMILES for 1-ethenylpyrrole;1H-pyridin-2-one is C=Cn1cccc1.O=c1cccc[nH]1.
What is the InChIKey of 1-ethenylpyrrole;1H-pyridin-2-one?
The InChIKey is FHTGPNCGKDGWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C5H5NO/c1-2-7-5-3-4-6-7;7-5-3-1-2-4-6-5/h2-6H,1H2;1-4H,(H,6,7).
What are the key properties of 1-ethenylpyrrole;1H-pyridin-2-one?
1-ethenylpyrrole;1H-pyridin-2-one has a molecular weight of 188.23 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylpyrrole;1H-pyridin-2-one is sourced from PubChem (CID 158036037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).