4-diazo-3-phenylcyclohexane-1,2-dione

C12H10N2O2 — CID 54136208

IUPAC4-diazo-3-phenylcyclohexane-1,2-dione
SMILES[N-]=[N+]=C1CCC(=O)C(=O)C1c1ccccc1
InChIInChI=1S/C12H10N2O2/c13-14-9-6-7-10(15)12(16)11(9)8-4-2-1-3-5-8/h1-5,11H,6-7H2
InChIKeyRFBNBUJAEUVYSQ-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.37
Rot. Bonds1

About 4-diazo-3-phenylcyclohexane-1,2-dione

4-diazo-3-phenylcyclohexane-1,2-dione (PubChem CID 54136208) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-diazo-3-phenylcyclohexane-1,2-dione.

Molecular Properties

Compound Name4-diazo-3-phenylcyclohexane-1,2-dione
PubChem CID54136208
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name4-diazo-3-phenylcyclohexane-1,2-dione
SMILES[N-]=[N+]=C1CCC(=O)C(=O)C1c1ccccc1
InChIInChI=1S/C12H10N2O2/c13-14-9-6-7-10(15)12(16)11(9)8-4-2-1-3-5-8/h1-5,11H,6-7H2
InChIKeyRFBNBUJAEUVYSQ-UHFFFAOYSA-N
XLogP1.37
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-diazo-3-phenylcyclohexane-1,2-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-phenylbicyclo[4.2.0]octa-1,3,5-trien-7-one
CID 14617627
2,3-diphenylcyclododecane-1,4-dione
CID 101032541
4-phenylpyrazole-3,5-dione
CID 57268798
1-phenyl-1,2,4,5,6,7,8,9-octahydrocyclopenta[8]annulen-3-one
CID 24975573
(2S)-3-methylimino-2-phenylinden-1-one
CID 124846160
3-methylimino-2-phenylinden-1-one
CID 91824479
5-fluoro-2-phenylindene-1,3-dione
CID 3043662
5-cyclohexylidene-2,3-dimethyl-4-phenylcyclopent-2-en-1-one
CID 102142065
2-phenyl-3a,4,5,6-tetrahydroindene-1,3-dione
CID 171384673
trans-(4R,5R)-4,5-diphenylcycloheptan-1-one
CID 58293688
2,5-diphenyl-1,3-dioxane-4,6-dione
CID 10683306
(3S,5S)-3-azido-5-phenyloxolan-2-one
CID 102451787

Frequently Asked Questions

What is the IUPAC name of 4-diazo-3-phenylcyclohexane-1,2-dione?
The IUPAC name of 4-diazo-3-phenylcyclohexane-1,2-dione (CID 54136208) is 4-diazo-3-phenylcyclohexane-1,2-dione.
What is the SMILES notation for 4-diazo-3-phenylcyclohexane-1,2-dione?
The canonical SMILES for 4-diazo-3-phenylcyclohexane-1,2-dione is [N-]=[N+]=C1CCC(=O)C(=O)C1c1ccccc1.
What is the InChIKey of 4-diazo-3-phenylcyclohexane-1,2-dione?
The InChIKey is RFBNBUJAEUVYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c13-14-9-6-7-10(15)12(16)11(9)8-4-2-1-3-5-8/h1-5,11H,6-7H2.
What are the key properties of 4-diazo-3-phenylcyclohexane-1,2-dione?
4-diazo-3-phenylcyclohexane-1,2-dione has a molecular weight of 214.22 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazo-3-phenylcyclohexane-1,2-dione is sourced from PubChem (CID 54136208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).