8-amino-1,2-dihydroxybenzo[c]chromen-6-one

C13H9NO4 — CID 71307713

IUPAC8-amino-1,2-dihydroxybenzo[c]chromen-6-one
SMILESNc1ccc2c(c1)c(=O)oc1ccc(O)c(O)c12
InChIInChI=1S/C13H9NO4/c14-6-1-2-7-8(5-6)13(17)18-10-4-3-9(15)12(16)11(7)10/h1-5,15-16H,14H2
InChIKeyCIBLWEYTLAIXMO-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.94
Rot. Bonds

About 8-amino-1,2-dihydroxybenzo[c]chromen-6-one

8-amino-1,2-dihydroxybenzo[c]chromen-6-one (PubChem CID 71307713) has the molecular formula C13H9NO4 and a molecular weight of 243.22 g/mol. Its IUPAC name is 8-amino-1,2-dihydroxybenzo[c]chromen-6-one.

Molecular Properties

Compound Name8-amino-1,2-dihydroxybenzo[c]chromen-6-one
PubChem CID71307713
Molecular FormulaC13H9NO4
Molecular Weight243.22 g/mol
Exact Mass243.05
IUPAC Name8-amino-1,2-dihydroxybenzo[c]chromen-6-one
SMILESNc1ccc2c(c1)c(=O)oc1ccc(O)c(O)c12
InChIInChI=1S/C13H9NO4/c14-6-1-2-7-8(5-6)13(17)18-10-4-3-9(15)12(16)11(7)10/h1-5,15-16H,14H2
InChIKeyCIBLWEYTLAIXMO-UHFFFAOYSA-N
XLogP1.94
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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-amino-1,2-dihydroxybenzo[c]chromen-6-one?
The IUPAC name of 8-amino-1,2-dihydroxybenzo[c]chromen-6-one (CID 71307713) is 8-amino-1,2-dihydroxybenzo[c]chromen-6-one.
What is the SMILES notation for 8-amino-1,2-dihydroxybenzo[c]chromen-6-one?
The canonical SMILES for 8-amino-1,2-dihydroxybenzo[c]chromen-6-one is Nc1ccc2c(c1)c(=O)oc1ccc(O)c(O)c12.
What is the InChIKey of 8-amino-1,2-dihydroxybenzo[c]chromen-6-one?
The InChIKey is CIBLWEYTLAIXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO4/c14-6-1-2-7-8(5-6)13(17)18-10-4-3-9(15)12(16)11(7)10/h1-5,15-16H,14H2.
What are the key properties of 8-amino-1,2-dihydroxybenzo[c]chromen-6-one?
8-amino-1,2-dihydroxybenzo[c]chromen-6-one has a molecular weight of 243.22 g/mol, XLogP of 1.94, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1,2-dihydroxybenzo[c]chromen-6-one is sourced from PubChem (CID 71307713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).