(2Z)-2-[(4-methoxyphenyl)hydrazinylidene]-4-methylcyclohexan-1-one

C14H18N2O2 — CID 6454381

IUPAC(2Z)-2-[(4-methoxyphenyl)hydrazinylidene]-4-methylcyclohexan-1-one
SMILESCOc1ccc(N/N=C2/CC(C)CCC2=O)cc1
InChIInChI=1S/C14H18N2O2/c1-10-3-8-14(17)13(9-10)16-15-11-4-6-12(18-2)7-5-11/h4-7,10,15H,3,8-9H2,1-2H3/b16-13-
InChIKeyOCMNERIMZFMHEM-SSZFMOIBSA-N
MW246.31 g/mol
LogP2.85
Rot. Bonds3

About (2Z)-2-[(4-methoxyphenyl)hydrazinylidene]-4-methylcyclohexan-1-one

(2Z)-2-[(4-methoxyphenyl)hydrazinylidene]-4-methylcyclohexan-1-one (PubChem CID 6454381) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (2Z)-2-[(4-methoxyphenyl)hydrazinylidene]-4-methylcyclohexan-1-one.

Molecular Properties

Compound Name(2Z)-2-[(4-methoxyphenyl)hydrazinylidene]-4-methylcyclohexan-1-one
PubChem CID6454381
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(2Z)-2-[(4-methoxyphenyl)hydrazinylidene]-4-methylcyclohexan-1-one
SMILESCOc1ccc(N/N=C2/CC(C)CCC2=O)cc1
InChIInChI=1S/C14H18N2O2/c1-10-3-8-14(17)13(9-10)16-15-11-4-6-12(18-2)7-5-11/h4-7,10,15H,3,8-9H2,1-2H3/b16-13-
InChIKeyOCMNERIMZFMHEM-SSZFMOIBSA-N
XLogP2.85
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-methoxyphenyl)hydrazinylidene]-4-methylcyclohexan-1-one?
The IUPAC name of (2Z)-2-[(4-methoxyphenyl)hydrazinylidene]-4-methylcyclohexan-1-one (CID 6454381) is (2Z)-2-[(4-methoxyphenyl)hydrazinylidene]-4-methylcyclohexan-1-one.
What is the SMILES notation for (2Z)-2-[(4-methoxyphenyl)hydrazinylidene]-4-methylcyclohexan-1-one?
The canonical SMILES for (2Z)-2-[(4-methoxyphenyl)hydrazinylidene]-4-methylcyclohexan-1-one is COc1ccc(N/N=C2/CC(C)CCC2=O)cc1.
What is the InChIKey of (2Z)-2-[(4-methoxyphenyl)hydrazinylidene]-4-methylcyclohexan-1-one?
The InChIKey is OCMNERIMZFMHEM-SSZFMOIBSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-3-8-14(17)13(9-10)16-15-11-4-6-12(18-2)7-5-11/h4-7,10,15H,3,8-9H2,1-2H3/b16-13-.
What are the key properties of (2Z)-2-[(4-methoxyphenyl)hydrazinylidene]-4-methylcyclohexan-1-one?
(2Z)-2-[(4-methoxyphenyl)hydrazinylidene]-4-methylcyclohexan-1-one has a molecular weight of 246.31 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-methoxyphenyl)hydrazinylidene]-4-methylcyclohexan-1-one is sourced from PubChem (CID 6454381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).