3-ethenylideneimidazo[1,2-a]pyridin-2-one

C9H6N2O — CID 126570213

IUPAC3-ethenylideneimidazo[1,2-a]pyridin-2-one
SMILESC=C=C1C(=O)N=C2C=CC=CN12
InChIInChI=1S/C9H6N2O/c1-2-7-9(12)10-8-5-3-4-6-11(7)8/h3-6H,1H2
InChIKeyBVNUCKJNUZSFEC-UHFFFAOYSA-N
MW158.16 g/mol
LogP0.98
Rot. Bonds

About 3-ethenylideneimidazo[1,2-a]pyridin-2-one

3-ethenylideneimidazo[1,2-a]pyridin-2-one (PubChem CID 126570213) has the molecular formula C9H6N2O and a molecular weight of 158.16 g/mol. Its IUPAC name is 3-ethenylideneimidazo[1,2-a]pyridin-2-one.

Molecular Properties

Compound Name3-ethenylideneimidazo[1,2-a]pyridin-2-one
PubChem CID126570213
Molecular FormulaC9H6N2O
Molecular Weight158.16 g/mol
Exact Mass158.05
IUPAC Name3-ethenylideneimidazo[1,2-a]pyridin-2-one
SMILESC=C=C1C(=O)N=C2C=CC=CN12
InChIInChI=1S/C9H6N2O/c1-2-7-9(12)10-8-5-3-4-6-11(7)8/h3-6H,1H2
InChIKeyBVNUCKJNUZSFEC-UHFFFAOYSA-N
XLogP0.98
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethenylideneimidazo[1,2-a]pyridin-2-one?
The IUPAC name of 3-ethenylideneimidazo[1,2-a]pyridin-2-one (CID 126570213) is 3-ethenylideneimidazo[1,2-a]pyridin-2-one.
What is the SMILES notation for 3-ethenylideneimidazo[1,2-a]pyridin-2-one?
The canonical SMILES for 3-ethenylideneimidazo[1,2-a]pyridin-2-one is C=C=C1C(=O)N=C2C=CC=CN12.
What is the InChIKey of 3-ethenylideneimidazo[1,2-a]pyridin-2-one?
The InChIKey is BVNUCKJNUZSFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O/c1-2-7-9(12)10-8-5-3-4-6-11(7)8/h3-6H,1H2.
What are the key properties of 3-ethenylideneimidazo[1,2-a]pyridin-2-one?
3-ethenylideneimidazo[1,2-a]pyridin-2-one has a molecular weight of 158.16 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylideneimidazo[1,2-a]pyridin-2-one is sourced from PubChem (CID 126570213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).