3-(3-aminophenyl)-6-methylchromen-2-one

C16H13NO2 — CID 118724440

IUPAC3-(3-aminophenyl)-6-methylchromen-2-one
SMILESCc1ccc2oc(=O)c(-c3cccc(N)c3)cc2c1
InChIInChI=1S/C16H13NO2/c1-10-5-6-15-12(7-10)9-14(16(18)19-15)11-3-2-4-13(17)8-11/h2-9H,17H2,1H3
InChIKeyLGZDIVLUIURHFV-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.35
Rot. Bonds1

About 3-(3-aminophenyl)-6-methylchromen-2-one

3-(3-aminophenyl)-6-methylchromen-2-one (PubChem CID 118724440) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 3-(3-aminophenyl)-6-methylchromen-2-one.

Molecular Properties

Compound Name3-(3-aminophenyl)-6-methylchromen-2-one
PubChem CID118724440
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name3-(3-aminophenyl)-6-methylchromen-2-one
SMILESCc1ccc2oc(=O)c(-c3cccc(N)c3)cc2c1
InChIInChI=1S/C16H13NO2/c1-10-5-6-15-12(7-10)9-14(16(18)19-15)11-3-2-4-13(17)8-11/h2-9H,17H2,1H3
InChIKeyLGZDIVLUIURHFV-UHFFFAOYSA-N
XLogP3.35
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.35
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-6-methylchromen-2-one?
The IUPAC name of 3-(3-aminophenyl)-6-methylchromen-2-one (CID 118724440) is 3-(3-aminophenyl)-6-methylchromen-2-one.
What is the SMILES notation for 3-(3-aminophenyl)-6-methylchromen-2-one?
The canonical SMILES for 3-(3-aminophenyl)-6-methylchromen-2-one is Cc1ccc2oc(=O)c(-c3cccc(N)c3)cc2c1.
What is the InChIKey of 3-(3-aminophenyl)-6-methylchromen-2-one?
The InChIKey is LGZDIVLUIURHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-10-5-6-15-12(7-10)9-14(16(18)19-15)11-3-2-4-13(17)8-11/h2-9H,17H2,1H3.
What are the key properties of 3-(3-aminophenyl)-6-methylchromen-2-one?
3-(3-aminophenyl)-6-methylchromen-2-one has a molecular weight of 251.28 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-6-methylchromen-2-one is sourced from PubChem (CID 118724440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).