1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,6-dimethylpyridin-4-one

C13H19NO2 — CID 114757395

IUPAC1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1CC1(CCO)CC1
InChIInChI=1S/C13H19NO2/c1-10-7-12(16)8-11(2)14(10)9-13(3-4-13)5-6-15/h7-8,15H,3-6,9H2,1-2H3
InChIKeyOFFGSMFFHWBULH-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.63
Rot. Bonds4

About 1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,6-dimethylpyridin-4-one

1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,6-dimethylpyridin-4-one (PubChem CID 114757395) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,6-dimethylpyridin-4-one
PubChem CID114757395
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1CC1(CCO)CC1
InChIInChI=1S/C13H19NO2/c1-10-7-12(16)8-11(2)14(10)9-13(3-4-13)5-6-15/h7-8,15H,3-6,9H2,1-2H3
InChIKeyOFFGSMFFHWBULH-UHFFFAOYSA-N
XLogP1.63
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,6-dimethylpyridin-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-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,6-dimethylpyridin-4-one (CID 114757395) is 1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,6-dimethylpyridin-4-one is Cc1cc(=O)cc(C)n1CC1(CCO)CC1.
What is the InChIKey of 1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,6-dimethylpyridin-4-one?
The InChIKey is OFFGSMFFHWBULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-7-12(16)8-11(2)14(10)9-13(3-4-13)5-6-15/h7-8,15H,3-6,9H2,1-2H3.
What are the key properties of 1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,6-dimethylpyridin-4-one?
1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,6-dimethylpyridin-4-one has a molecular weight of 221.30 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 114757395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).