(2E)-2-[(4-tert-butylphenyl)hydrazinylidene]cyclohexan-1-one

C16H22N2O — CID 6107629

IUPAC(2E)-2-[(4-tert-butylphenyl)hydrazinylidene]cyclohexan-1-one
SMILESCC(C)(C)c1ccc(N/N=C2\CCCCC2=O)cc1
InChIInChI=1S/C16H22N2O/c1-16(2,3)12-8-10-13(11-9-12)17-18-14-6-4-5-7-15(14)19/h8-11,17H,4-7H2,1-3H3/b18-14+
InChIKeyKMVNDJDYKJAUAU-NBVRZTHBSA-N
MW258.37 g/mol
LogP3.90
Rot. Bonds2

About (2E)-2-[(4-tert-butylphenyl)hydrazinylidene]cyclohexan-1-one

(2E)-2-[(4-tert-butylphenyl)hydrazinylidene]cyclohexan-1-one (PubChem CID 6107629) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is (2E)-2-[(4-tert-butylphenyl)hydrazinylidene]cyclohexan-1-one.

Molecular Properties

Compound Name(2E)-2-[(4-tert-butylphenyl)hydrazinylidene]cyclohexan-1-one
PubChem CID6107629
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name(2E)-2-[(4-tert-butylphenyl)hydrazinylidene]cyclohexan-1-one
SMILESCC(C)(C)c1ccc(N/N=C2\CCCCC2=O)cc1
InChIInChI=1S/C16H22N2O/c1-16(2,3)12-8-10-13(11-9-12)17-18-14-6-4-5-7-15(14)19/h8-11,17H,4-7H2,1-3H3/b18-14+
InChIKeyKMVNDJDYKJAUAU-NBVRZTHBSA-N
XLogP3.90
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2E)-2-[(4-tert-butylphenyl)hydrazinylidene]cyclohexan-1-one?
The IUPAC name of (2E)-2-[(4-tert-butylphenyl)hydrazinylidene]cyclohexan-1-one (CID 6107629) is (2E)-2-[(4-tert-butylphenyl)hydrazinylidene]cyclohexan-1-one.
What is the SMILES notation for (2E)-2-[(4-tert-butylphenyl)hydrazinylidene]cyclohexan-1-one?
The canonical SMILES for (2E)-2-[(4-tert-butylphenyl)hydrazinylidene]cyclohexan-1-one is CC(C)(C)c1ccc(N/N=C2\CCCCC2=O)cc1.
What is the InChIKey of (2E)-2-[(4-tert-butylphenyl)hydrazinylidene]cyclohexan-1-one?
The InChIKey is KMVNDJDYKJAUAU-NBVRZTHBSA-N. The full InChI is InChI=1S/C16H22N2O/c1-16(2,3)12-8-10-13(11-9-12)17-18-14-6-4-5-7-15(14)19/h8-11,17H,4-7H2,1-3H3/b18-14+.
What are the key properties of (2E)-2-[(4-tert-butylphenyl)hydrazinylidene]cyclohexan-1-one?
(2E)-2-[(4-tert-butylphenyl)hydrazinylidene]cyclohexan-1-one has a molecular weight of 258.37 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-tert-butylphenyl)hydrazinylidene]cyclohexan-1-one is sourced from PubChem (CID 6107629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).