1-cyclopropyl-3-hydroxy-2-(2-methylpropyl)pyridin-4-one

C12H17NO2 — CID 84675304

IUPAC1-cyclopropyl-3-hydroxy-2-(2-methylpropyl)pyridin-4-one
SMILESCC(C)Cc1c(O)c(=O)ccn1C1CC1
InChIInChI=1S/C12H17NO2/c1-8(2)7-10-12(15)11(14)5-6-13(10)9-3-4-9/h5-6,8-9,15H,3-4,7H2,1-2H3
InChIKeyAUMBTPIIZXUEID-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.09
Rot. Bonds3

About 1-cyclopropyl-3-hydroxy-2-(2-methylpropyl)pyridin-4-one

1-cyclopropyl-3-hydroxy-2-(2-methylpropyl)pyridin-4-one (PubChem CID 84675304) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-cyclopropyl-3-hydroxy-2-(2-methylpropyl)pyridin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-3-hydroxy-2-(2-methylpropyl)pyridin-4-one
PubChem CID84675304
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-cyclopropyl-3-hydroxy-2-(2-methylpropyl)pyridin-4-one
SMILESCC(C)Cc1c(O)c(=O)ccn1C1CC1
InChIInChI=1S/C12H17NO2/c1-8(2)7-10-12(15)11(14)5-6-13(10)9-3-4-9/h5-6,8-9,15H,3-4,7H2,1-2H3
InChIKeyAUMBTPIIZXUEID-UHFFFAOYSA-N
XLogP2.09
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-3-hydroxy-2-(2-methylpropyl)pyridin-4-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-cyclopropyl-3-hydroxy-2-(2-methylpropyl)pyridin-4-one?
The IUPAC name of 1-cyclopropyl-3-hydroxy-2-(2-methylpropyl)pyridin-4-one (CID 84675304) is 1-cyclopropyl-3-hydroxy-2-(2-methylpropyl)pyridin-4-one.
What is the SMILES notation for 1-cyclopropyl-3-hydroxy-2-(2-methylpropyl)pyridin-4-one?
The canonical SMILES for 1-cyclopropyl-3-hydroxy-2-(2-methylpropyl)pyridin-4-one is CC(C)Cc1c(O)c(=O)ccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-hydroxy-2-(2-methylpropyl)pyridin-4-one?
The InChIKey is AUMBTPIIZXUEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8(2)7-10-12(15)11(14)5-6-13(10)9-3-4-9/h5-6,8-9,15H,3-4,7H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-hydroxy-2-(2-methylpropyl)pyridin-4-one?
1-cyclopropyl-3-hydroxy-2-(2-methylpropyl)pyridin-4-one has a molecular weight of 207.27 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-hydroxy-2-(2-methylpropyl)pyridin-4-one is sourced from PubChem (CID 84675304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).