6-nitrosochromen-2-one

C9H5NO3 — CID 1871

IUPAC6-nitrosochromen-2-one
SMILESO=Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C9H5NO3/c11-9-4-1-6-5-7(10-12)2-3-8(6)13-9/h1-5H
InChIKeyHXTDAUGEZTYMGP-UHFFFAOYSA-N
MW175.14 g/mol
LogP2.19
Rot. Bonds1

About 6-nitrosochromen-2-one

6-nitrosochromen-2-one (PubChem CID 1871) has the molecular formula C9H5NO3 and a molecular weight of 175.14 g/mol. Its IUPAC name is 6-nitrosochromen-2-one.

Molecular Properties

Compound Name6-nitrosochromen-2-one
PubChem CID1871
Molecular FormulaC9H5NO3
Molecular Weight175.14 g/mol
Exact Mass175.03
IUPAC Name6-nitrosochromen-2-one
SMILESO=Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C9H5NO3/c11-9-4-1-6-5-7(10-12)2-3-8(6)13-9/h1-5H
InChIKeyHXTDAUGEZTYMGP-UHFFFAOYSA-N
XLogP2.19
TPSA59.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-Amino-1,2-benzopyrone
CID 46153
p-Nitrophenyl o-tolyl ether
CID 17123
6-Amino-3-phenyl-2H-chromen-2-one
CID 617017
6-Acetamidocoumarin
CID 13262
5-Iodo-6-amino-1,2-benzopyrone
CID 72356
2-Acetoxy-5-nitrobenzyl chloride
CID 21619272
7-Methyl-6-nitro-2H-chromen-2-one
CID 264120
6-Nitro-2-benzopyrone
CID 75944
6-(Hydroxy(oxido)amino)-2-oxo-2H-chromene-3-carboxylic acid
CID 252679
Ethyl 6-(hydroxy(oxido)amino)-2-oxo-2H-chromene-3-carboxylate
CID 248840
Benzoic acid, 4-nitrophenyl ester
CID 70396
3-Acetyl-6-nitrochromen-2-one
CID 540544

Frequently Asked Questions

What is the IUPAC name of 6-nitrosochromen-2-one?
The IUPAC name of 6-nitrosochromen-2-one (CID 1871) is 6-nitrosochromen-2-one.
What is the SMILES notation for 6-nitrosochromen-2-one?
The canonical SMILES for 6-nitrosochromen-2-one is O=Nc1ccc2oc(=O)ccc2c1.
What is the InChIKey of 6-nitrosochromen-2-one?
The InChIKey is HXTDAUGEZTYMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5NO3/c11-9-4-1-6-5-7(10-12)2-3-8(6)13-9/h1-5H.
What are the key properties of 6-nitrosochromen-2-one?
6-nitrosochromen-2-one has a molecular weight of 175.14 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitrosochromen-2-one is sourced from PubChem (CID 1871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).