ethyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate

C32H33NO2P2 — CID 88907993

IUPACethyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CC(P(c2ccccc2)c2ccccc2)CC1CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H33NO2P2/c1-2-35-32(34)33-24-31(37(29-19-11-5-12-20-29)30-21-13-6-14-22-30)23-26(33)25-36(27-15-7-3-8-16-27)28-17-9-4-10-18-28/h3-22,26,31H,2,23-25H2,1H3
InChIKeyYCBUAGYUKVXPJE-UHFFFAOYSA-N
MW525.57 g/mol
LogP5.85
Rot. Bonds8

About ethyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate

ethyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate (PubChem CID 88907993) has the molecular formula C32H33NO2P2 and a molecular weight of 525.57 g/mol. Its IUPAC name is ethyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate
PubChem CID88907993
Molecular FormulaC32H33NO2P2
Molecular Weight525.57 g/mol
Exact Mass525.20
IUPAC Nameethyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CC(P(c2ccccc2)c2ccccc2)CC1CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H33NO2P2/c1-2-35-32(34)33-24-31(37(29-19-11-5-12-20-29)30-21-13-6-14-22-30)23-26(33)25-36(27-15-7-3-8-16-27)28-17-9-4-10-18-28/h3-22,26,31H,2,23-25H2,1H3
InChIKeyYCBUAGYUKVXPJE-UHFFFAOYSA-N
XLogP5.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.57
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-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 ethyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate?
The IUPAC name of ethyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate (CID 88907993) is ethyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for ethyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate is CCOC(=O)N1CC(P(c2ccccc2)c2ccccc2)CC1CP(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate?
The InChIKey is YCBUAGYUKVXPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33NO2P2/c1-2-35-32(34)33-24-31(37(29-19-11-5-12-20-29)30-21-13-6-14-22-30)23-26(33)25-36(27-15-7-3-8-16-27)28-17-9-4-10-18-28/h3-22,26,31H,2,23-25H2,1H3.
What are the key properties of ethyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate?
ethyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate has a molecular weight of 525.57 g/mol, XLogP of 5.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 88907993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).