methyl 4-[(Z)-[[2-(cyclopropylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate

C14H15N3O4 — CID 8899268

IUPACmethyl 4-[(Z)-[[2-(cyclopropylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(/C=N\NC(=O)C(=O)NC2CC2)cc1
InChIInChI=1S/C14H15N3O4/c1-21-14(20)10-4-2-9(3-5-10)8-15-17-13(19)12(18)16-11-6-7-11/h2-5,8,11H,6-7H2,1H3,(H,16,18)(H,17,19)/b15-8-
InChIKeyGCRMKKZJGWJBPA-NVNXTCNLSA-N
MW289.29 g/mol
LogP0.20
Rot. Bonds4

About methyl 4-[(Z)-[[2-(cyclopropylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate

methyl 4-[(Z)-[[2-(cyclopropylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate (PubChem CID 8899268) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is methyl 4-[(Z)-[[2-(cyclopropylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(Z)-[[2-(cyclopropylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
PubChem CID8899268
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Namemethyl 4-[(Z)-[[2-(cyclopropylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(/C=N\NC(=O)C(=O)NC2CC2)cc1
InChIInChI=1S/C14H15N3O4/c1-21-14(20)10-4-2-9(3-5-10)8-15-17-13(19)12(18)16-11-6-7-11/h2-5,8,11H,6-7H2,1H3,(H,16,18)(H,17,19)/b15-8-
InChIKeyGCRMKKZJGWJBPA-NVNXTCNLSA-N
XLogP0.20
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 4-[(Z)-[[2-(cyclopropylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate with MolForge

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Related Compounds

N-cyclopropyl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988925
N-cyclopentyl-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 136863405
methyl 4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]benzoate
CID 6020609
N-cyclopentyl-N'-[(4-methylsulfanylphenyl)methylideneamino]oxamide
CID 5171062
N'-[(Z)-(4-bromophenyl)methylideneamino]-N-cyclohexyloxamide
CID 94844327
methyl 4-[[2-[(2Z)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-2-oxoacetyl]amino]benzoate
CID 133240897
N-cyclopropyl-N'-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]oxamide
CID 9352689
N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-cyclopropyloxamide
CID 8931670
methyl 4-[[[2-(2,3-dimethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
CID 3877148
methyl 4-[[[4-[[(4-methoxycarbonylphenyl)methylideneamino]carbamoyl]phenyl]hydrazinylidene]methyl]benzoate
CID 4090499
N'-[(Z)-(3-chlorophenyl)methylideneamino]-N-cyclopropyloxamide
CID 9352220
N'-[(Z)-[4-[2-cyanoethyl(methyl)amino]phenyl]methylideneamino]-N-cyclopropyloxamide
CID 9043309

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(Z)-[[2-(cyclopropylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate?
The IUPAC name of methyl 4-[(Z)-[[2-(cyclopropylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate (CID 8899268) is methyl 4-[(Z)-[[2-(cyclopropylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate.
What is the SMILES notation for methyl 4-[(Z)-[[2-(cyclopropylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate?
The canonical SMILES for methyl 4-[(Z)-[[2-(cyclopropylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate is COC(=O)c1ccc(/C=N\NC(=O)C(=O)NC2CC2)cc1.
What is the InChIKey of methyl 4-[(Z)-[[2-(cyclopropylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate?
The InChIKey is GCRMKKZJGWJBPA-NVNXTCNLSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-21-14(20)10-4-2-9(3-5-10)8-15-17-13(19)12(18)16-11-6-7-11/h2-5,8,11H,6-7H2,1H3,(H,16,18)(H,17,19)/b15-8-.
What are the key properties of methyl 4-[(Z)-[[2-(cyclopropylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate?
methyl 4-[(Z)-[[2-(cyclopropylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate has a molecular weight of 289.29 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(Z)-[[2-(cyclopropylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 8899268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).