2-methylidene-3H-pyridin-6-one

C6H7NO — CID 91287573

IUPAC2-methylidene-3H-pyridin-6-one
SMILESC=C1CC=CC(=O)N1
InChIInChI=1S/C6H7NO/c1-5-3-2-4-6(8)7-5/h2,4H,1,3H2,(H,7,8)
InChIKeyVJWZQFCIBAIRDJ-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.58
Rot. Bonds

About 2-methylidene-3H-pyridin-6-one

2-methylidene-3H-pyridin-6-one (PubChem CID 91287573) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 2-methylidene-3H-pyridin-6-one.

Molecular Properties

Compound Name2-methylidene-3H-pyridin-6-one
PubChem CID91287573
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name2-methylidene-3H-pyridin-6-one
SMILESC=C1CC=CC(=O)N1
InChIInChI=1S/C6H7NO/c1-5-3-2-4-6(8)7-5/h2,4H,1,3H2,(H,7,8)
InChIKeyVJWZQFCIBAIRDJ-UHFFFAOYSA-N
XLogP0.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methylidene-3H-pyridin-6-one with MolForge

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

Launch Full Analysis

Related Compounds

Pyridine-2,6-dione
CID 3829704
1H-Pyridin-2-one, 6-ethyl-
CID 182320
6-Isopropylpyridin-2(1H)-one
CID 12354335
6-(tert-Butyl)pyridin-2(1H)-one
CID 13494636
6-(1,1-difluoroethyl)-1H-pyridin-2-one
CID 84764065
6-(1-fluoroethyl)-1H-pyridin-2-one
CID 152294406
5-fluoro-2-methylidene-3H-pyridin-6-one
CID 160068019
6-ethyl-3-fluoro-1H-pyridin-2-one
CID 163801258
5-fluoro-3-methyl-2-methylidene-3H-pyridin-6-one
CID 165030148
6-but-3-enyl-1H-pyridin-2-one
CID 131886452
6-(Pentafluoroethyl)-1,2-dihydropyridin-2-one
CID 10013443
6-(2,2,2-Trifluoroethyl)pyridin-2-OL
CID 72218391

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3H-pyridin-6-one?
The IUPAC name of 2-methylidene-3H-pyridin-6-one (CID 91287573) is 2-methylidene-3H-pyridin-6-one.
What is the SMILES notation for 2-methylidene-3H-pyridin-6-one?
The canonical SMILES for 2-methylidene-3H-pyridin-6-one is C=C1CC=CC(=O)N1.
What is the InChIKey of 2-methylidene-3H-pyridin-6-one?
The InChIKey is VJWZQFCIBAIRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c1-5-3-2-4-6(8)7-5/h2,4H,1,3H2,(H,7,8).
What are the key properties of 2-methylidene-3H-pyridin-6-one?
2-methylidene-3H-pyridin-6-one has a molecular weight of 109.13 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3H-pyridin-6-one is sourced from PubChem (CID 91287573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).