ethyl (E)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)but-2-enoate

C20H23N2O3P — CID 134471325

IUPACethyl (E)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)but-2-enoate
SMILESCCOC(=O)/C=C(\C)P1(=O)N(c2ccccc2)CCN1c1ccccc1
InChIInChI=1S/C20H23N2O3P/c1-3-25-20(23)16-17(2)26(24)21(18-10-6-4-7-11-18)14-15-22(26)19-12-8-5-9-13-19/h4-13,16H,3,14-15H2,1-2H3/b17-16+
InChIKeyHAHVZFDSUBGOTO-WUKNDPDISA-N
MW370.39 g/mol
LogP4.67
Rot. Bonds5

About ethyl (E)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)but-2-enoate

ethyl (E)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)but-2-enoate (PubChem CID 134471325) has the molecular formula C20H23N2O3P and a molecular weight of 370.39 g/mol. Its IUPAC name is ethyl (E)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)but-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)but-2-enoate
PubChem CID134471325
Molecular FormulaC20H23N2O3P
Molecular Weight370.39 g/mol
Exact Mass370.14
IUPAC Nameethyl (E)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)but-2-enoate
SMILESCCOC(=O)/C=C(\C)P1(=O)N(c2ccccc2)CCN1c1ccccc1
InChIInChI=1S/C20H23N2O3P/c1-3-25-20(23)16-17(2)26(24)21(18-10-6-4-7-11-18)14-15-22(26)19-12-8-5-9-13-19/h4-13,16H,3,14-15H2,1-2H3/b17-16+
InChIKeyHAHVZFDSUBGOTO-WUKNDPDISA-N
XLogP4.67
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze ethyl (E)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)but-2-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 ethyl (E)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)but-2-enoate?
The IUPAC name of ethyl (E)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)but-2-enoate (CID 134471325) is ethyl (E)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)but-2-enoate.
What is the SMILES notation for ethyl (E)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)but-2-enoate?
The canonical SMILES for ethyl (E)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)but-2-enoate is CCOC(=O)/C=C(\C)P1(=O)N(c2ccccc2)CCN1c1ccccc1.
What is the InChIKey of ethyl (E)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)but-2-enoate?
The InChIKey is HAHVZFDSUBGOTO-WUKNDPDISA-N. The full InChI is InChI=1S/C20H23N2O3P/c1-3-25-20(23)16-17(2)26(24)21(18-10-6-4-7-11-18)14-15-22(26)19-12-8-5-9-13-19/h4-13,16H,3,14-15H2,1-2H3/b17-16+.
What are the key properties of ethyl (E)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)but-2-enoate?
ethyl (E)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)but-2-enoate has a molecular weight of 370.39 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)but-2-enoate is sourced from PubChem (CID 134471325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).