3-(aminomethyl)-1-cyclopropyl-6-methylpyridin-2-one

C10H14N2O — CID 82188971

IUPAC3-(aminomethyl)-1-cyclopropyl-6-methylpyridin-2-one
SMILESCc1ccc(CN)c(=O)n1C1CC1
InChIInChI=1S/C10H14N2O/c1-7-2-3-8(6-11)10(13)12(7)9-4-5-9/h2-3,9H,4-6,11H2,1H3
InChIKeyYOMDBEBSCBAHHM-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.95
Rot. Bonds2

About 3-(aminomethyl)-1-cyclopropyl-6-methylpyridin-2-one

3-(aminomethyl)-1-cyclopropyl-6-methylpyridin-2-one (PubChem CID 82188971) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-(aminomethyl)-1-cyclopropyl-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-cyclopropyl-6-methylpyridin-2-one
PubChem CID82188971
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name3-(aminomethyl)-1-cyclopropyl-6-methylpyridin-2-one
SMILESCc1ccc(CN)c(=O)n1C1CC1
InChIInChI=1S/C10H14N2O/c1-7-2-3-8(6-11)10(13)12(7)9-4-5-9/h2-3,9H,4-6,11H2,1H3
InChIKeyYOMDBEBSCBAHHM-UHFFFAOYSA-N
XLogP0.95
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-1-cyclopropyl-6-methylpyridin-2-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 3-(aminomethyl)-1-cyclopropyl-6-methylpyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-cyclopropyl-6-methylpyridin-2-one (CID 82188971) is 3-(aminomethyl)-1-cyclopropyl-6-methylpyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-cyclopropyl-6-methylpyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-cyclopropyl-6-methylpyridin-2-one is Cc1ccc(CN)c(=O)n1C1CC1.
What is the InChIKey of 3-(aminomethyl)-1-cyclopropyl-6-methylpyridin-2-one?
The InChIKey is YOMDBEBSCBAHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7-2-3-8(6-11)10(13)12(7)9-4-5-9/h2-3,9H,4-6,11H2,1H3.
What are the key properties of 3-(aminomethyl)-1-cyclopropyl-6-methylpyridin-2-one?
3-(aminomethyl)-1-cyclopropyl-6-methylpyridin-2-one has a molecular weight of 178.23 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-cyclopropyl-6-methylpyridin-2-one is sourced from PubChem (CID 82188971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).