1-hydroxy-3-nitroso-7,8,9,10-tetrahydrobenzo[c]chromen-6-one

C13H11NO4 — CID 143801772

IUPAC1-hydroxy-3-nitroso-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
SMILESO=Nc1cc(O)c2c3c(c(=O)oc2c1)CCCC3
InChIInChI=1S/C13H11NO4/c15-10-5-7(14-17)6-11-12(10)8-3-1-2-4-9(8)13(16)18-11/h5-6,15H,1-4H2
InChIKeyBNDXOLRNAYWVFF-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.78
Rot. Bonds1

About 1-hydroxy-3-nitroso-7,8,9,10-tetrahydrobenzo[c]chromen-6-one

1-hydroxy-3-nitroso-7,8,9,10-tetrahydrobenzo[c]chromen-6-one (PubChem CID 143801772) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 1-hydroxy-3-nitroso-7,8,9,10-tetrahydrobenzo[c]chromen-6-one.

Molecular Properties

Compound Name1-hydroxy-3-nitroso-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
PubChem CID143801772
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name1-hydroxy-3-nitroso-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
SMILESO=Nc1cc(O)c2c3c(c(=O)oc2c1)CCCC3
InChIInChI=1S/C13H11NO4/c15-10-5-7(14-17)6-11-12(10)8-3-1-2-4-9(8)13(16)18-11/h5-6,15H,1-4H2
InChIKeyBNDXOLRNAYWVFF-UHFFFAOYSA-N
XLogP2.78
TPSA79.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-nitroso-7,8,9,10-tetrahydrobenzo[c]chromen-6-one?
The IUPAC name of 1-hydroxy-3-nitroso-7,8,9,10-tetrahydrobenzo[c]chromen-6-one (CID 143801772) is 1-hydroxy-3-nitroso-7,8,9,10-tetrahydrobenzo[c]chromen-6-one.
What is the SMILES notation for 1-hydroxy-3-nitroso-7,8,9,10-tetrahydrobenzo[c]chromen-6-one?
The canonical SMILES for 1-hydroxy-3-nitroso-7,8,9,10-tetrahydrobenzo[c]chromen-6-one is O=Nc1cc(O)c2c3c(c(=O)oc2c1)CCCC3.
What is the InChIKey of 1-hydroxy-3-nitroso-7,8,9,10-tetrahydrobenzo[c]chromen-6-one?
The InChIKey is BNDXOLRNAYWVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c15-10-5-7(14-17)6-11-12(10)8-3-1-2-4-9(8)13(16)18-11/h5-6,15H,1-4H2.
What are the key properties of 1-hydroxy-3-nitroso-7,8,9,10-tetrahydrobenzo[c]chromen-6-one?
1-hydroxy-3-nitroso-7,8,9,10-tetrahydrobenzo[c]chromen-6-one has a molecular weight of 245.23 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-nitroso-7,8,9,10-tetrahydrobenzo[c]chromen-6-one is sourced from PubChem (CID 143801772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).