methyl 2-(benzylideneamino)-2-phenylpent-4-enoate

C19H19NO2 — CID 58589763

IUPACmethyl 2-(benzylideneamino)-2-phenylpent-4-enoate
SMILESC=CCC(/N=C/c1ccccc1)(C(=O)OC)c1ccccc1
InChIInChI=1S/C19H19NO2/c1-3-14-19(18(21)22-2,17-12-8-5-9-13-17)20-15-16-10-6-4-7-11-16/h3-13,15H,1,14H2,2H3/b20-15+
InChIKeyDMRFLOYYNFFORQ-HMMYKYKNSA-N
MW293.37 g/mol
LogP3.75
Rot. Bonds6

About methyl 2-(benzylideneamino)-2-phenylpent-4-enoate

methyl 2-(benzylideneamino)-2-phenylpent-4-enoate (PubChem CID 58589763) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is methyl 2-(benzylideneamino)-2-phenylpent-4-enoate.

Molecular Properties

Compound Namemethyl 2-(benzylideneamino)-2-phenylpent-4-enoate
PubChem CID58589763
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Namemethyl 2-(benzylideneamino)-2-phenylpent-4-enoate
SMILESC=CCC(/N=C/c1ccccc1)(C(=O)OC)c1ccccc1
InChIInChI=1S/C19H19NO2/c1-3-14-19(18(21)22-2,17-12-8-5-9-13-17)20-15-16-10-6-4-7-11-16/h3-13,15H,1,14H2,2H3/b20-15+
InChIKeyDMRFLOYYNFFORQ-HMMYKYKNSA-N
XLogP3.75
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 2-(benzylideneamino)-2-phenylpent-4-enoate 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 methyl 2-(benzylideneamino)-2-phenylpent-4-enoate?
The IUPAC name of methyl 2-(benzylideneamino)-2-phenylpent-4-enoate (CID 58589763) is methyl 2-(benzylideneamino)-2-phenylpent-4-enoate.
What is the SMILES notation for methyl 2-(benzylideneamino)-2-phenylpent-4-enoate?
The canonical SMILES for methyl 2-(benzylideneamino)-2-phenylpent-4-enoate is C=CCC(/N=C/c1ccccc1)(C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 2-(benzylideneamino)-2-phenylpent-4-enoate?
The InChIKey is DMRFLOYYNFFORQ-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H19NO2/c1-3-14-19(18(21)22-2,17-12-8-5-9-13-17)20-15-16-10-6-4-7-11-16/h3-13,15H,1,14H2,2H3/b20-15+.
What are the key properties of methyl 2-(benzylideneamino)-2-phenylpent-4-enoate?
methyl 2-(benzylideneamino)-2-phenylpent-4-enoate has a molecular weight of 293.37 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(benzylideneamino)-2-phenylpent-4-enoate is sourced from PubChem (CID 58589763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).