1-[(2S,4S)-4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]ethanone

C31H31NOP2 — CID 15321970

IUPAC1-[(2S,4S)-4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1C[C@@H](P(c2ccccc2)c2ccccc2)C[C@H]1CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H31NOP2/c1-25(33)32-23-31(35(29-18-10-4-11-19-29)30-20-12-5-13-21-30)22-26(32)24-34(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h2-21,26,31H,22-24H2,1H3/t26-,31-/m0/s1
InChIKeyUYOGUTAKAQWDJG-HVNZXBJASA-N
MW495.54 g/mol
LogP5.24
Rot. Bonds7

About 1-[(2S,4S)-4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]ethanone

1-[(2S,4S)-4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]ethanone (PubChem CID 15321970) has the molecular formula C31H31NOP2 and a molecular weight of 495.54 g/mol. Its IUPAC name is 1-[(2S,4S)-4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,4S)-4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]ethanone
PubChem CID15321970
Molecular FormulaC31H31NOP2
Molecular Weight495.54 g/mol
Exact Mass495.19
IUPAC Name1-[(2S,4S)-4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1C[C@@H](P(c2ccccc2)c2ccccc2)C[C@H]1CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H31NOP2/c1-25(33)32-23-31(35(29-18-10-4-11-19-29)30-20-12-5-13-21-30)22-26(32)24-34(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h2-21,26,31H,22-24H2,1H3/t26-,31-/m0/s1
InChIKeyUYOGUTAKAQWDJG-HVNZXBJASA-N
XLogP5.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.54
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(2S,4S)-4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate
CID 88907993
4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 87447868
4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 87447114
[(3S,5S)-5-(diphenylphosphanylmethyl)-1-methylsulfonylpyrrolidin-3-yl]-diphenylphosphane
CID 10744809
CID 11549830
CID 11549830
(2S,4S)-4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 87448366
methyl (2S,4S)-4-dicyclohexylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate
CID 14646170
tert-butyl (2S,4S)-4-[cyclohexyl(phenyl)phosphanyl]-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate
CID 100927918
[(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
[(2R)-4-diphenylphosphanyl-1-methylpyrrolidin-2-yl]-diphenylphosphane
CID 88728895
[(2S,4S)-4-diphenylphosphanyl-1-methylpyrrolidin-2-yl]-diphenylphosphane
CID 101030870

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2S,4S)-4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]ethanone (CID 15321970) is 1-[(2S,4S)-4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S,4S)-4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S,4S)-4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]ethanone is CC(=O)N1C[C@@H](P(c2ccccc2)c2ccccc2)C[C@H]1CP(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(2S,4S)-4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is UYOGUTAKAQWDJG-HVNZXBJASA-N. The full InChI is InChI=1S/C31H31NOP2/c1-25(33)32-23-31(35(29-18-10-4-11-19-29)30-20-12-5-13-21-30)22-26(32)24-34(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h2-21,26,31H,22-24H2,1H3/t26-,31-/m0/s1.
What are the key properties of 1-[(2S,4S)-4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]ethanone?
1-[(2S,4S)-4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 495.54 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 15321970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).