(2-nitroso-3-oxo-3-phenylprop-1-enylidene)azanide

C9H5N2O2- — CID 136679784

IUPAC(2-nitroso-3-oxo-3-phenylprop-1-enylidene)azanide
SMILES[N-]=C=C(N=O)C(=O)c1ccccc1
InChIInChI=1S/C9H5N2O2/c10-6-8(11-13)9(12)7-4-2-1-3-5-7/h1-5H/q-1
InChIKeyGFLBLOQITDAGIS-UHFFFAOYSA-N
MW173.15 g/mol
LogP1.76
Rot. Bonds3

About (2-nitroso-3-oxo-3-phenylprop-1-enylidene)azanide

(2-nitroso-3-oxo-3-phenylprop-1-enylidene)azanide (PubChem CID 136679784) has the molecular formula C9H5N2O2- and a molecular weight of 173.15 g/mol. Its IUPAC name is (2-nitroso-3-oxo-3-phenylprop-1-enylidene)azanide.

Molecular Properties

Compound Name(2-nitroso-3-oxo-3-phenylprop-1-enylidene)azanide
PubChem CID136679784
Molecular FormulaC9H5N2O2-
Molecular Weight173.15 g/mol
Exact Mass173.04
IUPAC Name(2-nitroso-3-oxo-3-phenylprop-1-enylidene)azanide
SMILES[N-]=C=C(N=O)C(=O)c1ccccc1
InChIInChI=1S/C9H5N2O2/c10-6-8(11-13)9(12)7-4-2-1-3-5-7/h1-5H/q-1
InChIKeyGFLBLOQITDAGIS-UHFFFAOYSA-N
XLogP1.76
TPSA68.80 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.15
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-[(4-carboxyphenyl)diazenyl]-3-oxo-3-phenylprop-1-enylidene]azanide
CID 135796386
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
1,2-diphenylethane-1,2-dione;iron
CID 70488368
3-hydroxy-2-nitroso-1,3-diphenylprop-2-en-1-one
CID 135485256
3-hydroxy-2-nitroso-1-phenylprop-2-en-1-one
CID 151303538
bis(1,2-diphenylethane-1,2-dione);silylidenezirconium
CID 158973097
(3-oxo-3-phenylprop-1-enylidene)azanide
CID 101031134
2-oxo-2-phenylacetic acid;yttrium
CID 20801354

Frequently Asked Questions

What is the IUPAC name of (2-nitroso-3-oxo-3-phenylprop-1-enylidene)azanide?
The IUPAC name of (2-nitroso-3-oxo-3-phenylprop-1-enylidene)azanide (CID 136679784) is (2-nitroso-3-oxo-3-phenylprop-1-enylidene)azanide.
What is the SMILES notation for (2-nitroso-3-oxo-3-phenylprop-1-enylidene)azanide?
The canonical SMILES for (2-nitroso-3-oxo-3-phenylprop-1-enylidene)azanide is [N-]=C=C(N=O)C(=O)c1ccccc1.
What is the InChIKey of (2-nitroso-3-oxo-3-phenylprop-1-enylidene)azanide?
The InChIKey is GFLBLOQITDAGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N2O2/c10-6-8(11-13)9(12)7-4-2-1-3-5-7/h1-5H/q-1.
What are the key properties of (2-nitroso-3-oxo-3-phenylprop-1-enylidene)azanide?
(2-nitroso-3-oxo-3-phenylprop-1-enylidene)azanide has a molecular weight of 173.15 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitroso-3-oxo-3-phenylprop-1-enylidene)azanide is sourced from PubChem (CID 136679784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).