2-(3-aminophenyl)benzo[h]chromen-4-one

C19H13NO2 — CID 11185299

IUPAC2-(3-aminophenyl)benzo[h]chromen-4-one
SMILESNc1cccc(-c2cc(=O)c3ccc4ccccc4c3o2)c1
InChIInChI=1S/C19H13NO2/c20-14-6-3-5-13(10-14)18-11-17(21)16-9-8-12-4-1-2-7-15(12)19(16)22-18/h1-11H,20H2
InChIKeyPSFJZUUBCFRPCE-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.20
Rot. Bonds1

About 2-(3-aminophenyl)benzo[h]chromen-4-one

2-(3-aminophenyl)benzo[h]chromen-4-one (PubChem CID 11185299) has the molecular formula C19H13NO2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(3-aminophenyl)benzo[h]chromen-4-one.

Molecular Properties

Compound Name2-(3-aminophenyl)benzo[h]chromen-4-one
PubChem CID11185299
Molecular FormulaC19H13NO2
Molecular Weight287.32 g/mol
Exact Mass287.09
IUPAC Name2-(3-aminophenyl)benzo[h]chromen-4-one
SMILESNc1cccc(-c2cc(=O)c3ccc4ccccc4c3o2)c1
InChIInChI=1S/C19H13NO2/c20-14-6-3-5-13(10-14)18-11-17(21)16-9-8-12-4-1-2-7-15(12)19(16)22-18/h1-11H,20H2
InChIKeyPSFJZUUBCFRPCE-UHFFFAOYSA-N
XLogP4.20
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)benzo[h]chromen-4-one?
The IUPAC name of 2-(3-aminophenyl)benzo[h]chromen-4-one (CID 11185299) is 2-(3-aminophenyl)benzo[h]chromen-4-one.
What is the SMILES notation for 2-(3-aminophenyl)benzo[h]chromen-4-one?
The canonical SMILES for 2-(3-aminophenyl)benzo[h]chromen-4-one is Nc1cccc(-c2cc(=O)c3ccc4ccccc4c3o2)c1.
What is the InChIKey of 2-(3-aminophenyl)benzo[h]chromen-4-one?
The InChIKey is PSFJZUUBCFRPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO2/c20-14-6-3-5-13(10-14)18-11-17(21)16-9-8-12-4-1-2-7-15(12)19(16)22-18/h1-11H,20H2.
What are the key properties of 2-(3-aminophenyl)benzo[h]chromen-4-one?
2-(3-aminophenyl)benzo[h]chromen-4-one has a molecular weight of 287.32 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)benzo[h]chromen-4-one is sourced from PubChem (CID 11185299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).