[(Z)-1-phenylethylideneamino] 2-phenylcyclopropane-1-carboxylate

C18H17NO2 — CID 5372801

IUPAC[(Z)-1-phenylethylideneamino] 2-phenylcyclopropane-1-carboxylate
SMILESC/C(=N/OC(=O)C1CC1c1ccccc1)c1ccccc1
InChIInChI=1S/C18H17NO2/c1-13(14-8-4-2-5-9-14)19-21-18(20)17-12-16(17)15-10-6-3-7-11-15/h2-11,16-17H,12H2,1H3/b19-13-
InChIKeyUSZMRMOXPZKKKA-UYRXBGFRSA-N
MW279.34 g/mol
LogP3.76
Rot. Bonds4

About [(Z)-1-phenylethylideneamino] 2-phenylcyclopropane-1-carboxylate

[(Z)-1-phenylethylideneamino] 2-phenylcyclopropane-1-carboxylate (PubChem CID 5372801) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is [(Z)-1-phenylethylideneamino] 2-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[(Z)-1-phenylethylideneamino] 2-phenylcyclopropane-1-carboxylate
PubChem CID5372801
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name[(Z)-1-phenylethylideneamino] 2-phenylcyclopropane-1-carboxylate
SMILESC/C(=N/OC(=O)C1CC1c1ccccc1)c1ccccc1
InChIInChI=1S/C18H17NO2/c1-13(14-8-4-2-5-9-14)19-21-18(20)17-12-16(17)15-10-6-3-7-11-15/h2-11,16-17H,12H2,1H3/b19-13-
InChIKeyUSZMRMOXPZKKKA-UYRXBGFRSA-N
XLogP3.76
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-phenylethylideneamino] 2-phenylcyclopropane-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-phenylethylideneamino] 2-phenylcyclopropane-1-carboxylate?
The IUPAC name of [(Z)-1-phenylethylideneamino] 2-phenylcyclopropane-1-carboxylate (CID 5372801) is [(Z)-1-phenylethylideneamino] 2-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for [(Z)-1-phenylethylideneamino] 2-phenylcyclopropane-1-carboxylate?
The canonical SMILES for [(Z)-1-phenylethylideneamino] 2-phenylcyclopropane-1-carboxylate is C/C(=N/OC(=O)C1CC1c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-1-phenylethylideneamino] 2-phenylcyclopropane-1-carboxylate?
The InChIKey is USZMRMOXPZKKKA-UYRXBGFRSA-N. The full InChI is InChI=1S/C18H17NO2/c1-13(14-8-4-2-5-9-14)19-21-18(20)17-12-16(17)15-10-6-3-7-11-15/h2-11,16-17H,12H2,1H3/b19-13-.
What are the key properties of [(Z)-1-phenylethylideneamino] 2-phenylcyclopropane-1-carboxylate?
[(Z)-1-phenylethylideneamino] 2-phenylcyclopropane-1-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-phenylethylideneamino] 2-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 5372801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).