3-(aminomethyl)-6-cyclopropyl-4-methyl-1H-pyridin-2-one

C10H14N2O — CID 67124109

IUPAC3-(aminomethyl)-6-cyclopropyl-4-methyl-1H-pyridin-2-one
SMILESCc1cc(C2CC2)[nH]c(=O)c1CN
InChIInChI=1S/C10H14N2O/c1-6-4-9(7-2-3-7)12-10(13)8(6)5-11/h4,7H,2-3,5,11H2,1H3,(H,12,13)
InChIKeyAWQYPAVOIYFYRY-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.02
Rot. Bonds2

About 3-(aminomethyl)-6-cyclopropyl-4-methyl-1H-pyridin-2-one

3-(aminomethyl)-6-cyclopropyl-4-methyl-1H-pyridin-2-one (PubChem CID 67124109) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-(aminomethyl)-6-cyclopropyl-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-cyclopropyl-4-methyl-1H-pyridin-2-one
PubChem CID67124109
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name3-(aminomethyl)-6-cyclopropyl-4-methyl-1H-pyridin-2-one
SMILESCc1cc(C2CC2)[nH]c(=O)c1CN
InChIInChI=1S/C10H14N2O/c1-6-4-9(7-2-3-7)12-10(13)8(6)5-11/h4,7H,2-3,5,11H2,1H3,(H,12,13)
InChIKeyAWQYPAVOIYFYRY-UHFFFAOYSA-N
XLogP1.02
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(aminomethyl)-6-cyclopropyl-4-methyl-1H-pyridin-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)-6-cyclopropyl-4-methyl-1H-pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-cyclopropyl-4-methyl-1H-pyridin-2-one (CID 67124109) is 3-(aminomethyl)-6-cyclopropyl-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-cyclopropyl-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-cyclopropyl-4-methyl-1H-pyridin-2-one is Cc1cc(C2CC2)[nH]c(=O)c1CN.
What is the InChIKey of 3-(aminomethyl)-6-cyclopropyl-4-methyl-1H-pyridin-2-one?
The InChIKey is AWQYPAVOIYFYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-6-4-9(7-2-3-7)12-10(13)8(6)5-11/h4,7H,2-3,5,11H2,1H3,(H,12,13).
What are the key properties of 3-(aminomethyl)-6-cyclopropyl-4-methyl-1H-pyridin-2-one?
3-(aminomethyl)-6-cyclopropyl-4-methyl-1H-pyridin-2-one has a molecular weight of 178.23 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-cyclopropyl-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 67124109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).