3-methylidene-1-propan-2-yl-2H-pyridin-6-one

C9H13NO — CID 123654467

IUPAC3-methylidene-1-propan-2-yl-2H-pyridin-6-one
SMILESC=C1C=CC(=O)N(C(C)C)C1
InChIInChI=1S/C9H13NO/c1-7(2)10-6-8(3)4-5-9(10)11/h4-5,7H,3,6H2,1-2H3
InChIKeyQREIOHIIERJHOQ-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.35
Rot. Bonds1

About 3-methylidene-1-propan-2-yl-2H-pyridin-6-one

3-methylidene-1-propan-2-yl-2H-pyridin-6-one (PubChem CID 123654467) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-methylidene-1-propan-2-yl-2H-pyridin-6-one.

Molecular Properties

Compound Name3-methylidene-1-propan-2-yl-2H-pyridin-6-one
PubChem CID123654467
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name3-methylidene-1-propan-2-yl-2H-pyridin-6-one
SMILESC=C1C=CC(=O)N(C(C)C)C1
InChIInChI=1S/C9H13NO/c1-7(2)10-6-8(3)4-5-9(10)11/h4-5,7H,3,6H2,1-2H3
InChIKeyQREIOHIIERJHOQ-UHFFFAOYSA-N
XLogP1.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-methylidene-1-propan-2-yl-2H-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

(2E,4E)-5,9-dimethyl-N,N-di(propan-2-yl)deca-2,4,8-trienamide
CID 44561471
1-(3-Methylidene-2,6-dihydropyridin-1-yl)ethanone
CID 14140227
1,6-Dimethyl-5,6-dihydropyridin-2(1h)-one
CID 12662945
1,5,6-Trimethyl-2-pyridone
CID 12735847
lithium N,N-diethylbenzamide
CID 12872035
5-Ethyl-1-propylpyridin-2-one
CID 13169254
1-Vinyl-5-methyl-2-pyridone
CID 14323033
1-Methyl-5,6-dihydropyridin-2(1H)-one
CID 18414702
1-ethyl-4,6-dimethyl-2(1H)-pyridone
CID 21538594
2(1H)-Pyridinone, 4-methyl-1-propyl-
CID 45082947
chlorozinc(1+);N,N-diethylbenzamide
CID 57830068
1,5-Dimethyl-2,3-dihydropyridin-6-one
CID 89095909

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-propan-2-yl-2H-pyridin-6-one?
The IUPAC name of 3-methylidene-1-propan-2-yl-2H-pyridin-6-one (CID 123654467) is 3-methylidene-1-propan-2-yl-2H-pyridin-6-one.
What is the SMILES notation for 3-methylidene-1-propan-2-yl-2H-pyridin-6-one?
The canonical SMILES for 3-methylidene-1-propan-2-yl-2H-pyridin-6-one is C=C1C=CC(=O)N(C(C)C)C1.
What is the InChIKey of 3-methylidene-1-propan-2-yl-2H-pyridin-6-one?
The InChIKey is QREIOHIIERJHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7(2)10-6-8(3)4-5-9(10)11/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 3-methylidene-1-propan-2-yl-2H-pyridin-6-one?
3-methylidene-1-propan-2-yl-2H-pyridin-6-one has a molecular weight of 151.21 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-propan-2-yl-2H-pyridin-6-one is sourced from PubChem (CID 123654467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).