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'}

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl (2S,4S)-4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate
CID 10898456
CID 11549830
CID 11549830
methyl (2S,4S)-4-dicyclohexylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate
CID 14646170
4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 87447114
tert-butyl (2S,4S)-4-[cyclohexyl(phenyl)phosphanyl]-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate
CID 100927918
(2S,4S)-4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 87448366
[(3S,5S)-1-bis(3-methylphenyl)phosphoryl-5-(diphenylphosphanylmethyl)pyrrolidin-3-yl]-diphenylphosphane
CID 57179888
1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]propan-1-one
CID 15534450
ethyl (2S,4R)-2-(2-ethoxy-2-oxoethyl)-4-phenylmethoxypyrrolidine-1-carboxylate
CID 10735531
ethyl 2-methyl-4-phenylpiperazine-1-carboxylate
CID 110707926
ethyl (2R)-2-methylaziridine-1-carboxylate
CID 129364107
ethyl 2-phenylpiperidine-1-carboxylate
CID 12791774

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).