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

C10H11NO2 — CID 130038964

IUPAC5-(hydroxymethyl)-2,3-dihydro-1H-quinolin-4-one
SMILESO=C1CCNc2cccc(CO)c21
InChIInChI=1S/C10H11NO2/c12-6-7-2-1-3-8-10(7)9(13)4-5-11-8/h1-3,11-12H,4-6H2
InChIKeySKDIQSNOYAUEGQ-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.18
Rot. Bonds1

About 5-(hydroxymethyl)-2,3-dihydro-1H-quinolin-4-one

5-(hydroxymethyl)-2,3-dihydro-1H-quinolin-4-one (PubChem CID 130038964) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-2,3-dihydro-1H-quinolin-4-one
PubChem CID130038964
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name5-(hydroxymethyl)-2,3-dihydro-1H-quinolin-4-one
SMILESO=C1CCNc2cccc(CO)c21
InChIInChI=1S/C10H11NO2/c12-6-7-2-1-3-8-10(7)9(13)4-5-11-8/h1-3,11-12H,4-6H2
InChIKeySKDIQSNOYAUEGQ-UHFFFAOYSA-N
XLogP1.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(hydroxymethyl)-2,3-dihydro-1H-quinolin-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 5-(hydroxymethyl)-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of 5-(hydroxymethyl)-2,3-dihydro-1H-quinolin-4-one (CID 130038964) is 5-(hydroxymethyl)-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for 5-(hydroxymethyl)-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for 5-(hydroxymethyl)-2,3-dihydro-1H-quinolin-4-one is O=C1CCNc2cccc(CO)c21.
What is the InChIKey of 5-(hydroxymethyl)-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is SKDIQSNOYAUEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-6-7-2-1-3-8-10(7)9(13)4-5-11-8/h1-3,11-12H,4-6H2.
What are the key properties of 5-(hydroxymethyl)-2,3-dihydro-1H-quinolin-4-one?
5-(hydroxymethyl)-2,3-dihydro-1H-quinolin-4-one has a molecular weight of 177.20 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 130038964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).