3-(4-aminophenyl)isochromen-1-one

C15H11NO2 — CID 24896921

IUPAC3-(4-aminophenyl)isochromen-1-one
SMILESNc1ccc(-c2cc3ccccc3c(=O)o2)cc1
InChIInChI=1S/C15H11NO2/c16-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)15(17)18-14/h1-9H,16H2
InChIKeyVSQCACOZTCHNNL-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.04
Rot. Bonds1

About 3-(4-aminophenyl)isochromen-1-one

3-(4-aminophenyl)isochromen-1-one (PubChem CID 24896921) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-(4-aminophenyl)isochromen-1-one.

Molecular Properties

Compound Name3-(4-aminophenyl)isochromen-1-one
PubChem CID24896921
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name3-(4-aminophenyl)isochromen-1-one
SMILESNc1ccc(-c2cc3ccccc3c(=O)o2)cc1
InChIInChI=1S/C15H11NO2/c16-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)15(17)18-14/h1-9H,16H2
InChIKeyVSQCACOZTCHNNL-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)isochromen-1-one?
The IUPAC name of 3-(4-aminophenyl)isochromen-1-one (CID 24896921) is 3-(4-aminophenyl)isochromen-1-one.
What is the SMILES notation for 3-(4-aminophenyl)isochromen-1-one?
The canonical SMILES for 3-(4-aminophenyl)isochromen-1-one is Nc1ccc(-c2cc3ccccc3c(=O)o2)cc1.
What is the InChIKey of 3-(4-aminophenyl)isochromen-1-one?
The InChIKey is VSQCACOZTCHNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c16-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)15(17)18-14/h1-9H,16H2.
What are the key properties of 3-(4-aminophenyl)isochromen-1-one?
3-(4-aminophenyl)isochromen-1-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-(4-aminophenyl)isochromen-1-one is sourced from PubChem (CID 24896921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).