1-(hydrazinecarbonyl)-4-methyl-6-phenylcyclohex-3-ene-1-carboxylic acid

C15H18N2O3 — CID 15446010

IUPAC1-(hydrazinecarbonyl)-4-methyl-6-phenylcyclohex-3-ene-1-carboxylic acid
SMILESCC1=CCC(C(=O)O)(C(=O)NN)C(c2ccccc2)C1
InChIInChI=1S/C15H18N2O3/c1-10-7-8-15(14(19)20,13(18)17-16)12(9-10)11-5-3-2-4-6-11/h2-7,12H,8-9,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyZUYNXCWMUPBDRY-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.57
Rot. Bonds3

About 1-(hydrazinecarbonyl)-4-methyl-6-phenylcyclohex-3-ene-1-carboxylic acid

1-(hydrazinecarbonyl)-4-methyl-6-phenylcyclohex-3-ene-1-carboxylic acid (PubChem CID 15446010) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(hydrazinecarbonyl)-4-methyl-6-phenylcyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name1-(hydrazinecarbonyl)-4-methyl-6-phenylcyclohex-3-ene-1-carboxylic acid
PubChem CID15446010
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-(hydrazinecarbonyl)-4-methyl-6-phenylcyclohex-3-ene-1-carboxylic acid
SMILESCC1=CCC(C(=O)O)(C(=O)NN)C(c2ccccc2)C1
InChIInChI=1S/C15H18N2O3/c1-10-7-8-15(14(19)20,13(18)17-16)12(9-10)11-5-3-2-4-6-11/h2-7,12H,8-9,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyZUYNXCWMUPBDRY-UHFFFAOYSA-N
XLogP1.57
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(4-chlorophenyl)-4-methylcyclohex-3-ene-1,1-dicarboxylic acid
CID 3870186
1-(3,5-diphenylpyrazole-1-carbonyl)-4-methyl-6-phenylcyclohex-3-ene-1-carboxylic acid
CID 12036244
(1S,6S)-6-(4-fluorophenyl)-1-methoxycarbonyl-4-methylcyclohex-3-ene-1-carboxylic acid
CID 675391
2,3-diacetyl-8-methyl-6-phenyl-2,3-diazaspiro[4.5]dec-8-ene-1,4-dione
CID 170908355
(1R,6R)-1-(benzylcarbamoyl)-4-methyl-6-(4-nitrophenyl)cyclohex-3-ene-1-carboxylate
CID 6979036
(1S,6S)-1-(benzylcarbamoyl)-4-methyl-6-(4-nitrophenyl)cyclohex-3-ene-1-carboxylate
CID 6979035
(1R,6R)-6-(4-fluorophenyl)-1-methoxycarbonyl-4-methylcyclohex-3-ene-1-carboxylate
CID 7813744
1-(3,5-dimethylpyrazole-1-carbonyl)-6-(4-fluorophenyl)-4-methylcyclohex-3-ene-1-carboxylic acid
CID 12036249
(2S)-2-phenylcyclopropane-1,1-dicarboxylate
CID 7351189
(2R,3S,5'R)-1',3-dimethyl-5'-phenylspiro[3H-indene-2,4'-cyclohexene]-1-one
CID 14610816
diethyl 1,4-dimethyl-6-phenyl-5,6-dihydro-2H-azepine-7,7-dicarboxylate
CID 11439382
1-amino-N'-(4,6-dimethylpyrimidin-2-yl)-2-phenylcyclopropane-1-carbohydrazide
CID 138014857

Frequently Asked Questions

What is the IUPAC name of 1-(hydrazinecarbonyl)-4-methyl-6-phenylcyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 1-(hydrazinecarbonyl)-4-methyl-6-phenylcyclohex-3-ene-1-carboxylic acid (CID 15446010) is 1-(hydrazinecarbonyl)-4-methyl-6-phenylcyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 1-(hydrazinecarbonyl)-4-methyl-6-phenylcyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 1-(hydrazinecarbonyl)-4-methyl-6-phenylcyclohex-3-ene-1-carboxylic acid is CC1=CCC(C(=O)O)(C(=O)NN)C(c2ccccc2)C1.
What is the InChIKey of 1-(hydrazinecarbonyl)-4-methyl-6-phenylcyclohex-3-ene-1-carboxylic acid?
The InChIKey is ZUYNXCWMUPBDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-7-8-15(14(19)20,13(18)17-16)12(9-10)11-5-3-2-4-6-11/h2-7,12H,8-9,16H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 1-(hydrazinecarbonyl)-4-methyl-6-phenylcyclohex-3-ene-1-carboxylic acid?
1-(hydrazinecarbonyl)-4-methyl-6-phenylcyclohex-3-ene-1-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydrazinecarbonyl)-4-methyl-6-phenylcyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 15446010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).