3-(3-aminophenyl)chromen-2-one

C15H11NO2 — CID 720985

IUPAC3-(3-aminophenyl)chromen-2-one
SMILESNc1cccc(-c2cc3ccccc3oc2=O)c1
InChIInChI=1S/C15H11NO2/c16-12-6-3-5-10(8-12)13-9-11-4-1-2-7-14(11)18-15(13)17/h1-9H,16H2
InChIKeyRHAQPESVLRVQJU-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.04
Rot. Bonds1

About 3-(3-aminophenyl)chromen-2-one

3-(3-aminophenyl)chromen-2-one (PubChem CID 720985) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-(3-aminophenyl)chromen-2-one.

Molecular Properties

Compound Name3-(3-aminophenyl)chromen-2-one
PubChem CID720985
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name3-(3-aminophenyl)chromen-2-one
SMILESNc1cccc(-c2cc3ccccc3oc2=O)c1
InChIInChI=1S/C15H11NO2/c16-12-6-3-5-10(8-12)13-9-11-4-1-2-7-14(11)18-15(13)17/h1-9H,16H2
InChIKeyRHAQPESVLRVQJU-UHFFFAOYSA-N
XLogP3.04
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 3-(3-aminophenyl)chromen-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-(3-aminophenyl)chromen-2-one?
The IUPAC name of 3-(3-aminophenyl)chromen-2-one (CID 720985) is 3-(3-aminophenyl)chromen-2-one.
What is the SMILES notation for 3-(3-aminophenyl)chromen-2-one?
The canonical SMILES for 3-(3-aminophenyl)chromen-2-one is Nc1cccc(-c2cc3ccccc3oc2=O)c1.
What is the InChIKey of 3-(3-aminophenyl)chromen-2-one?
The InChIKey is RHAQPESVLRVQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c16-12-6-3-5-10(8-12)13-9-11-4-1-2-7-14(11)18-15(13)17/h1-9H,16H2.
What are the key properties of 3-(3-aminophenyl)chromen-2-one?
3-(3-aminophenyl)chromen-2-one has a molecular weight of 237.26 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)chromen-2-one is sourced from PubChem (CID 720985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).