cyclohexyl 2-[(E)-(methylhydrazinylidene)methyl]benzoate

C15H20N2O2 — CID 172922980

IUPACcyclohexyl 2-[(E)-(methylhydrazinylidene)methyl]benzoate
SMILESCN/N=C/c1ccccc1C(=O)OC1CCCCC1
InChIInChI=1S/C15H20N2O2/c1-16-17-11-12-7-5-6-10-14(12)15(18)19-13-8-3-2-4-9-13/h5-7,10-11,13,16H,2-4,8-9H2,1H3/b17-11+
InChIKeyGHBGEMBKECCUMV-GZTJUZNOSA-N
MW260.34 g/mol
LogP2.73
Rot. Bonds4

About cyclohexyl 2-[(E)-(methylhydrazinylidene)methyl]benzoate

cyclohexyl 2-[(E)-(methylhydrazinylidene)methyl]benzoate (PubChem CID 172922980) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is cyclohexyl 2-[(E)-(methylhydrazinylidene)methyl]benzoate.

Molecular Properties

Compound Namecyclohexyl 2-[(E)-(methylhydrazinylidene)methyl]benzoate
PubChem CID172922980
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Namecyclohexyl 2-[(E)-(methylhydrazinylidene)methyl]benzoate
SMILESCN/N=C/c1ccccc1C(=O)OC1CCCCC1
InChIInChI=1S/C15H20N2O2/c1-16-17-11-12-7-5-6-10-14(12)15(18)19-13-8-3-2-4-9-13/h5-7,10-11,13,16H,2-4,8-9H2,1H3/b17-11+
InChIKeyGHBGEMBKECCUMV-GZTJUZNOSA-N
XLogP2.73
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

dicyclohexyl benzene-1,2-dicarboxylate;methane
CID 160634913
cyclohexyl 2-(methylamino)benzoate
CID 61278808
cyclopentyl 2-(methylamino)benzoate
CID 61278607
cyclobutyl 2-(methylamino)benzoate
CID 62217404
dicyclohexyl benzene-1,2-dicarboxylate;2-methoxy-2-methylpropane
CID 67920128
cyclohexyl 2-aminobenzoate
CID 24510
cyclohexyl 2-formyloxybenzoate
CID 54103583
tert-butyl benzenecarboperoxoate;dicyclohexyl benzene-1,2-dicarboxylate
CID 88691683
cyclohexanol;cyclohexyl 2-hydroxybenzoate;methyl 2-hydroxybenzoate
CID 158563155
1-O-cyclohexyl 2-O-(2-methylphenyl) benzene-1,2-dicarboxylate
CID 6423695
2-O-cyclohexyl 1-O-undecyl benzene-1,2-dicarboxylate
CID 174739456
cyclopentyl 2-aminobenzoate;hydrochloride
CID 138987389

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-[(E)-(methylhydrazinylidene)methyl]benzoate?
The IUPAC name of cyclohexyl 2-[(E)-(methylhydrazinylidene)methyl]benzoate (CID 172922980) is cyclohexyl 2-[(E)-(methylhydrazinylidene)methyl]benzoate.
What is the SMILES notation for cyclohexyl 2-[(E)-(methylhydrazinylidene)methyl]benzoate?
The canonical SMILES for cyclohexyl 2-[(E)-(methylhydrazinylidene)methyl]benzoate is CN/N=C/c1ccccc1C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-[(E)-(methylhydrazinylidene)methyl]benzoate?
The InChIKey is GHBGEMBKECCUMV-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-16-17-11-12-7-5-6-10-14(12)15(18)19-13-8-3-2-4-9-13/h5-7,10-11,13,16H,2-4,8-9H2,1H3/b17-11+.
What are the key properties of cyclohexyl 2-[(E)-(methylhydrazinylidene)methyl]benzoate?
cyclohexyl 2-[(E)-(methylhydrazinylidene)methyl]benzoate has a molecular weight of 260.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-[(E)-(methylhydrazinylidene)methyl]benzoate is sourced from PubChem (CID 172922980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).