methyl 4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]benzoate

C16H20N2O3 — CID 6020609

IUPACmethyl 4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]benzoate
SMILESCOC(=O)c1ccc(/C=N\NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C16H20N2O3/c1-21-16(20)14-9-7-12(8-10-14)11-17-18-15(19)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,18,19)/b17-11-
InChIKeySMYAFRWESQAODM-BOPFTXTBSA-N
MW288.35 g/mol
LogP2.50
Rot. Bonds4

About methyl 4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]benzoate

methyl 4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]benzoate (PubChem CID 6020609) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl 4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]benzoate
PubChem CID6020609
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Namemethyl 4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]benzoate
SMILESCOC(=O)c1ccc(/C=N\NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C16H20N2O3/c1-21-16(20)14-9-7-12(8-10-14)11-17-18-15(19)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,18,19)/b17-11-
InChIKeySMYAFRWESQAODM-BOPFTXTBSA-N
XLogP2.50
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.50
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

N-[(Z)-(4-chlorophenyl)methylideneamino]cyclohexanecarboxamide
CID 5427449
N-[(4-bromophenyl)methylideneamino]cyclohexanecarboxamide
CID 922325
[4-[(E)-(cyclohexanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-chlorobenzoate
CID 51061045
N-[(E)-benzylideneamino]cyclopentanecarboxamide
CID 139230611
methyl 4-[[[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]hydrazinylidene]methyl]benzoate
CID 3349670
methyl 4-[(Z)-[[2-(cyclopropylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
CID 8899268
[4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] acetate
CID 5419986
N-[(3-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 966794
N-[(Z)-(3,4-difluorophenyl)methylideneamino]cyclohexanecarboxamide
CID 9465740
methyl 4-[(propan-2-ylcarbamothioylhydrazinylidene)methyl]benzoate
CID 2398118
methyl 4-[[[2-[cyclohexyl(methylsulfonyl)amino]acetyl]hydrazinylidene]methyl]benzoate
CID 3956165
N-(pyridin-4-ylmethylideneamino)cyclobutanecarboxamide
CID 54518207

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]benzoate?
The IUPAC name of methyl 4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]benzoate (CID 6020609) is methyl 4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]benzoate.
What is the SMILES notation for methyl 4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]benzoate?
The canonical SMILES for methyl 4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]benzoate is COC(=O)c1ccc(/C=N\NC(=O)C2CCCCC2)cc1.
What is the InChIKey of methyl 4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]benzoate?
The InChIKey is SMYAFRWESQAODM-BOPFTXTBSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-21-16(20)14-9-7-12(8-10-14)11-17-18-15(19)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,18,19)/b17-11-.
What are the key properties of methyl 4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]benzoate?
methyl 4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]benzoate has a molecular weight of 288.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]benzoate is sourced from PubChem (CID 6020609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).