3-(aminomethyl)-1-cyclopropylpyridin-2-one

C9H12N2O — CID 82186489

IUPAC3-(aminomethyl)-1-cyclopropylpyridin-2-one
SMILESNCc1cccn(C2CC2)c1=O
InChIInChI=1S/C9H12N2O/c10-6-7-2-1-5-11(9(7)12)8-3-4-8/h1-2,5,8H,3-4,6,10H2
InChIKeyUGIQPDVITGHFMF-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.64
Rot. Bonds2

About 3-(aminomethyl)-1-cyclopropylpyridin-2-one

3-(aminomethyl)-1-cyclopropylpyridin-2-one (PubChem CID 82186489) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-(aminomethyl)-1-cyclopropylpyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-cyclopropylpyridin-2-one
PubChem CID82186489
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3-(aminomethyl)-1-cyclopropylpyridin-2-one
SMILESNCc1cccn(C2CC2)c1=O
InChIInChI=1S/C9H12N2O/c10-6-7-2-1-5-11(9(7)12)8-3-4-8/h1-2,5,8H,3-4,6,10H2
InChIKeyUGIQPDVITGHFMF-UHFFFAOYSA-N
XLogP0.64
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-1-cyclopropylpyridin-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-cyclopropylpyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-cyclopropylpyridin-2-one (CID 82186489) is 3-(aminomethyl)-1-cyclopropylpyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-cyclopropylpyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-cyclopropylpyridin-2-one is NCc1cccn(C2CC2)c1=O.
What is the InChIKey of 3-(aminomethyl)-1-cyclopropylpyridin-2-one?
The InChIKey is UGIQPDVITGHFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c10-6-7-2-1-5-11(9(7)12)8-3-4-8/h1-2,5,8H,3-4,6,10H2.
What are the key properties of 3-(aminomethyl)-1-cyclopropylpyridin-2-one?
3-(aminomethyl)-1-cyclopropylpyridin-2-one has a molecular weight of 164.21 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-cyclopropylpyridin-2-one is sourced from PubChem (CID 82186489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).