3-ethylidenepyridin-2-one

C7H7NO — CID 76827562

IUPAC3-ethylidenepyridin-2-one
SMILESCC=C1C=CC=NC1=O
InChIInChI=1S/C7H7NO/c1-2-6-4-3-5-8-7(6)9/h2-5H,1H3
InChIKeyPSBBDOOIAAKASB-UHFFFAOYSA-N
MW121.14 g/mol
LogP1.10
Rot. Bonds

About 3-ethylidenepyridin-2-one

3-ethylidenepyridin-2-one (PubChem CID 76827562) has the molecular formula C7H7NO and a molecular weight of 121.14 g/mol. Its IUPAC name is 3-ethylidenepyridin-2-one.

Molecular Properties

Compound Name3-ethylidenepyridin-2-one
PubChem CID76827562
Molecular FormulaC7H7NO
Molecular Weight121.14 g/mol
Exact Mass121.05
IUPAC Name3-ethylidenepyridin-2-one
SMILESCC=C1C=CC=NC1=O
InChIInChI=1S/C7H7NO/c1-2-6-4-3-5-8-7(6)9/h2-5H,1H3
InChIKeyPSBBDOOIAAKASB-UHFFFAOYSA-N
XLogP1.10
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Benzazepin-2-one
CID 19092219
Carbonyl pyridone
CID 77520314
3-Carbonyl-pyridine
CID 87556379
3-Methylazepin-2-one
CID 90904257
Cyclopenta[d]pyridon
CID 91450060
2H-3-benzazepine-2-on-hydrochloride
CID 129717137
Cyclohepta[c]pyridin-1-one
CID 132279945
5-Fluoro-3-methylidenepyridin-2-one
CID 72664331
3-Methylidenepyridin-2-one
CID 18522756
3-Ethylazepin-2-one
CID 23218762
Isoquinolin-1(7H)-one
CID 45079456
6aH-3-benzazocin-4-one
CID 54522036

Frequently Asked Questions

What is the IUPAC name of 3-ethylidenepyridin-2-one?
The IUPAC name of 3-ethylidenepyridin-2-one (CID 76827562) is 3-ethylidenepyridin-2-one.
What is the SMILES notation for 3-ethylidenepyridin-2-one?
The canonical SMILES for 3-ethylidenepyridin-2-one is CC=C1C=CC=NC1=O.
What is the InChIKey of 3-ethylidenepyridin-2-one?
The InChIKey is PSBBDOOIAAKASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO/c1-2-6-4-3-5-8-7(6)9/h2-5H,1H3.
What are the key properties of 3-ethylidenepyridin-2-one?
3-ethylidenepyridin-2-one has a molecular weight of 121.14 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylidenepyridin-2-one is sourced from PubChem (CID 76827562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).