4-(aminomethyl)-3,4-dihydro-1H-quinolin-2-one

C10H12N2O — CID 71758744

IUPAC4-(aminomethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESNCC1CC(=O)Nc2ccccc21
InChIInChI=1S/C10H12N2O/c11-6-7-5-10(13)12-9-4-2-1-3-8(7)9/h1-4,7H,5-6,11H2,(H,12,13)
InChIKeyZJMZHOMUFKQBLT-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.07
Rot. Bonds1

About 4-(aminomethyl)-3,4-dihydro-1H-quinolin-2-one

4-(aminomethyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 71758744) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-(aminomethyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID71758744
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name4-(aminomethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESNCC1CC(=O)Nc2ccccc21
InChIInChI=1S/C10H12N2O/c11-6-7-5-10(13)12-9-4-2-1-3-8(7)9/h1-4,7H,5-6,11H2,(H,12,13)
InChIKeyZJMZHOMUFKQBLT-UHFFFAOYSA-N
XLogP1.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(aminomethyl)-3,4-dihydro-1H-quinolin-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 4-(aminomethyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(aminomethyl)-3,4-dihydro-1H-quinolin-2-one (CID 71758744) is 4-(aminomethyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(aminomethyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(aminomethyl)-3,4-dihydro-1H-quinolin-2-one is NCC1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-(aminomethyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ZJMZHOMUFKQBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c11-6-7-5-10(13)12-9-4-2-1-3-8(7)9/h1-4,7H,5-6,11H2,(H,12,13).
What are the key properties of 4-(aminomethyl)-3,4-dihydro-1H-quinolin-2-one?
4-(aminomethyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 176.22 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 71758744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).