[(Z)-1-aminopropan-2-ylideneamino] cyclopropanecarboxylate

C7H12N2O2 — CID 58684723

IUPAC[(Z)-1-aminopropan-2-ylideneamino] cyclopropanecarboxylate
SMILESC/C(CN)=N/OC(=O)C1CC1
InChIInChI=1S/C7H12N2O2/c1-5(4-8)9-11-7(10)6-2-3-6/h6H,2-4,8H2,1H3/b9-5-
InChIKeyGZAFSUHXWKRLTR-UITAMQMPSA-N
MW156.18 g/mol
LogP0.27
Rot. Bonds3

About [(Z)-1-aminopropan-2-ylideneamino] cyclopropanecarboxylate

[(Z)-1-aminopropan-2-ylideneamino] cyclopropanecarboxylate (PubChem CID 58684723) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is [(Z)-1-aminopropan-2-ylideneamino] cyclopropanecarboxylate.

Molecular Properties

Compound Name[(Z)-1-aminopropan-2-ylideneamino] cyclopropanecarboxylate
PubChem CID58684723
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name[(Z)-1-aminopropan-2-ylideneamino] cyclopropanecarboxylate
SMILESC/C(CN)=N/OC(=O)C1CC1
InChIInChI=1S/C7H12N2O2/c1-5(4-8)9-11-7(10)6-2-3-6/h6H,2-4,8H2,1H3/b9-5-
InChIKeyGZAFSUHXWKRLTR-UITAMQMPSA-N
XLogP0.27
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(Z)-1-aminopropan-2-ylideneamino] cyclopropanecarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E)-1-aminopropan-2-ylideneamino] N-cyclohexylcarbamate
CID 58684869
2-fluoroethyl cyclopropanecarboxylate
CID 130693210
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
ethyl 4-chlorocyclohexane-1-carboxylate
CID 44558677
2-methylpropyl cyclopropanecarboxylate
CID 549520
ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 126501888
methyl 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate
CID 20682493
[(Z)-[amino(pyridin-2-yl)methylidene]amino] cyclopropanecarboxylate
CID 5349701
1-O-(aminomethyl) 4-O-tert-butyl cyclohexane-1,4-dicarboxylate
CID 57009798
methyl 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate;hydrochloride
CID 175944864
hydroxymethyl 4-methylcyclohexane-1-carboxylate
CID 137371727
methyl 4-oxamoylcyclohexane-1-carboxylate
CID 173390857

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-aminopropan-2-ylideneamino] cyclopropanecarboxylate?
The IUPAC name of [(Z)-1-aminopropan-2-ylideneamino] cyclopropanecarboxylate (CID 58684723) is [(Z)-1-aminopropan-2-ylideneamino] cyclopropanecarboxylate.
What is the SMILES notation for [(Z)-1-aminopropan-2-ylideneamino] cyclopropanecarboxylate?
The canonical SMILES for [(Z)-1-aminopropan-2-ylideneamino] cyclopropanecarboxylate is C/C(CN)=N/OC(=O)C1CC1.
What is the InChIKey of [(Z)-1-aminopropan-2-ylideneamino] cyclopropanecarboxylate?
The InChIKey is GZAFSUHXWKRLTR-UITAMQMPSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-5(4-8)9-11-7(10)6-2-3-6/h6H,2-4,8H2,1H3/b9-5-.
What are the key properties of [(Z)-1-aminopropan-2-ylideneamino] cyclopropanecarboxylate?
[(Z)-1-aminopropan-2-ylideneamino] cyclopropanecarboxylate has a molecular weight of 156.18 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-aminopropan-2-ylideneamino] cyclopropanecarboxylate is sourced from PubChem (CID 58684723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).