8-hydroxy-3-nitrosobenzo[c]chromen-6-one

C13H7NO4 — CID 144622401

IUPAC8-hydroxy-3-nitrosobenzo[c]chromen-6-one
SMILESO=Nc1ccc2c(c1)oc(=O)c1cc(O)ccc12
InChIInChI=1S/C13H7NO4/c15-8-2-4-9-10-3-1-7(14-17)5-12(10)18-13(16)11(9)6-8/h1-6,15H
InChIKeyYYLMMQYGDBYLDJ-UHFFFAOYSA-N
MW241.20 g/mol
LogP3.05
Rot. Bonds1

About 8-hydroxy-3-nitrosobenzo[c]chromen-6-one

8-hydroxy-3-nitrosobenzo[c]chromen-6-one (PubChem CID 144622401) has the molecular formula C13H7NO4 and a molecular weight of 241.20 g/mol. Its IUPAC name is 8-hydroxy-3-nitrosobenzo[c]chromen-6-one.

Molecular Properties

Compound Name8-hydroxy-3-nitrosobenzo[c]chromen-6-one
PubChem CID144622401
Molecular FormulaC13H7NO4
Molecular Weight241.20 g/mol
Exact Mass241.04
IUPAC Name8-hydroxy-3-nitrosobenzo[c]chromen-6-one
SMILESO=Nc1ccc2c(c1)oc(=O)c1cc(O)ccc12
InChIInChI=1S/C13H7NO4/c15-8-2-4-9-10-3-1-7(14-17)5-12(10)18-13(16)11(9)6-8/h1-6,15H
InChIKeyYYLMMQYGDBYLDJ-UHFFFAOYSA-N
XLogP3.05
TPSA79.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 153050234
CID 153050234
9-(3,8-dihydroxy-6-oxobenzo[c]chromen-9-yl)-3,8-dihydroxybenzo[c]chromen-6-one
CID 11510769
3,7,8-trihydroxybenzo[c]chromen-6-one
CID 72793787
8-[(dimethylamino)methyl]-3-hydroxybenzo[c]chromen-6-one
CID 170381068
2-(3,4-dihydroxyphenyl)-3-hydroxy-7-nitrosochromen-4-one
CID 137100206
2-(1,1-difluoroethyl)-3,8-dihydroxybenzo[c]chromen-6-one
CID 167659891
8-butyl-3-hydroxybenzo[c]chromen-6-one
CID 167552509
3-amino-4,7-dihydroxychromen-2-one
CID 54691343
4,7-dihydroxy-2-oxochromene-3-carbaldehyde
CID 137208579
4-methyl-7-nitrosochromen-2-one
CID 122373464
4-hydroxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione
CID 143335534
2-(dimethylamino)-N-(8-hydroxy-6-oxobenzo[c]chromen-3-yl)acetamide
CID 164598121

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-3-nitrosobenzo[c]chromen-6-one?
The IUPAC name of 8-hydroxy-3-nitrosobenzo[c]chromen-6-one (CID 144622401) is 8-hydroxy-3-nitrosobenzo[c]chromen-6-one.
What is the SMILES notation for 8-hydroxy-3-nitrosobenzo[c]chromen-6-one?
The canonical SMILES for 8-hydroxy-3-nitrosobenzo[c]chromen-6-one is O=Nc1ccc2c(c1)oc(=O)c1cc(O)ccc12.
What is the InChIKey of 8-hydroxy-3-nitrosobenzo[c]chromen-6-one?
The InChIKey is YYLMMQYGDBYLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7NO4/c15-8-2-4-9-10-3-1-7(14-17)5-12(10)18-13(16)11(9)6-8/h1-6,15H.
What are the key properties of 8-hydroxy-3-nitrosobenzo[c]chromen-6-one?
8-hydroxy-3-nitrosobenzo[c]chromen-6-one has a molecular weight of 241.20 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-3-nitrosobenzo[c]chromen-6-one is sourced from PubChem (CID 144622401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).