8-aminobenzo[c]chromen-6-one

C13H9NO2 — CID 23378936

IUPAC8-aminobenzo[c]chromen-6-one
SMILESNc1ccc2c(c1)c(=O)oc1ccccc12
InChIInChI=1S/C13H9NO2/c14-8-5-6-9-10-3-1-2-4-12(10)16-13(15)11(9)7-8/h1-7H,14H2
InChIKeyJAONNXSTACOXOT-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.53
Rot. Bonds

About 8-aminobenzo[c]chromen-6-one

8-aminobenzo[c]chromen-6-one (PubChem CID 23378936) has the molecular formula C13H9NO2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 8-aminobenzo[c]chromen-6-one.

Molecular Properties

Compound Name8-aminobenzo[c]chromen-6-one
PubChem CID23378936
Molecular FormulaC13H9NO2
Molecular Weight211.22 g/mol
Exact Mass211.06
IUPAC Name8-aminobenzo[c]chromen-6-one
SMILESNc1ccc2c(c1)c(=O)oc1ccccc12
InChIInChI=1S/C13H9NO2/c14-8-5-6-9-10-3-1-2-4-12(10)16-13(15)11(9)7-8/h1-7H,14H2
InChIKeyJAONNXSTACOXOT-UHFFFAOYSA-N
XLogP2.53
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.53
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-aminobenzo[c]chromen-6-one?
The IUPAC name of 8-aminobenzo[c]chromen-6-one (CID 23378936) is 8-aminobenzo[c]chromen-6-one.
What is the SMILES notation for 8-aminobenzo[c]chromen-6-one?
The canonical SMILES for 8-aminobenzo[c]chromen-6-one is Nc1ccc2c(c1)c(=O)oc1ccccc12.
What is the InChIKey of 8-aminobenzo[c]chromen-6-one?
The InChIKey is JAONNXSTACOXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2/c14-8-5-6-9-10-3-1-2-4-12(10)16-13(15)11(9)7-8/h1-7H,14H2.
What are the key properties of 8-aminobenzo[c]chromen-6-one?
8-aminobenzo[c]chromen-6-one has a molecular weight of 211.22 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-aminobenzo[c]chromen-6-one is sourced from PubChem (CID 23378936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).