(3E)-3-(phenylhydrazinylidene)cyclohexan-1-one

C12H14N2O — CID 6375529

IUPAC(3E)-3-(phenylhydrazinylidene)cyclohexan-1-one
SMILESO=C1CCC/C(=N\Nc2ccccc2)C1
InChIInChI=1S/C12H14N2O/c15-12-8-4-7-11(9-12)14-13-10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2/b14-11+
InChIKeyASBKHKGFGCNQJB-SDNWHVSQSA-N
MW202.26 g/mol
LogP2.60
Rot. Bonds2

About (3E)-3-(phenylhydrazinylidene)cyclohexan-1-one

(3E)-3-(phenylhydrazinylidene)cyclohexan-1-one (PubChem CID 6375529) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (3E)-3-(phenylhydrazinylidene)cyclohexan-1-one.

Molecular Properties

Compound Name(3E)-3-(phenylhydrazinylidene)cyclohexan-1-one
PubChem CID6375529
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(3E)-3-(phenylhydrazinylidene)cyclohexan-1-one
SMILESO=C1CCC/C(=N\Nc2ccccc2)C1
InChIInChI=1S/C12H14N2O/c15-12-8-4-7-11(9-12)14-13-10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2/b14-11+
InChIKeyASBKHKGFGCNQJB-SDNWHVSQSA-N
XLogP2.60
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (3E)-3-(phenylhydrazinylidene)cyclohexan-1-one?
The IUPAC name of (3E)-3-(phenylhydrazinylidene)cyclohexan-1-one (CID 6375529) is (3E)-3-(phenylhydrazinylidene)cyclohexan-1-one.
What is the SMILES notation for (3E)-3-(phenylhydrazinylidene)cyclohexan-1-one?
The canonical SMILES for (3E)-3-(phenylhydrazinylidene)cyclohexan-1-one is O=C1CCC/C(=N\Nc2ccccc2)C1.
What is the InChIKey of (3E)-3-(phenylhydrazinylidene)cyclohexan-1-one?
The InChIKey is ASBKHKGFGCNQJB-SDNWHVSQSA-N. The full InChI is InChI=1S/C12H14N2O/c15-12-8-4-7-11(9-12)14-13-10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2/b14-11+.
What are the key properties of (3E)-3-(phenylhydrazinylidene)cyclohexan-1-one?
(3E)-3-(phenylhydrazinylidene)cyclohexan-1-one has a molecular weight of 202.26 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(phenylhydrazinylidene)cyclohexan-1-one is sourced from PubChem (CID 6375529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).