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

C19H22NOP — CID 10543057

IUPAC1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H]1CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22NOP/c1-16(21)20-14-8-9-17(20)15-22(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,17H,8-9,14-15H2,1H3/t17-/m0/s1
InChIKeyWHLYEUMKEODZNF-KRWDZBQOSA-N
MW311.37 g/mol
LogP3.13
Rot. Bonds4

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

1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]ethanone (PubChem CID 10543057) has the molecular formula C19H22NOP and a molecular weight of 311.37 g/mol. Its IUPAC name is 1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]ethanone
PubChem CID10543057
Molecular FormulaC19H22NOP
Molecular Weight311.37 g/mol
Exact Mass311.14
IUPAC Name1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H]1CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22NOP/c1-16(21)20-14-8-9-17(20)15-22(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,17H,8-9,14-15H2,1H3/t17-/m0/s1
InChIKeyWHLYEUMKEODZNF-KRWDZBQOSA-N
XLogP3.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(2S)-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

Acetamide, 2-(diphenylphosphinyl)-N,N-diethyl-
CID 796632
2-(diphenylphosphoryl)-N,N-dipropylacetamide
CID 2193730
2-(Diphenyl-phosphinoyl)-1-piperidin-1-yl-ethanone
CID 611958
Acetamide, N,N-dibutyl-2-(diphenylphosphinyl)-
CID 4126391
tert-Butyl (S)-2-((diphenylphosphanyl)methyl)pyrrolidine-1-carboxylate
CID 15083816
Acetamide, 2-(diphenylphosphinothioyl)-N,N-diethyl-
CID 796778
2-(Diphenylphosphoryl)-N,N-bis(2-methylpropyl)acetamide
CID 13972021
2-diphenylphosphanyl-N,N-dimethylacetamide
CID 15821756
1-[(2S)-2-[(Diphenylphosphino)methyl]-1-pyrrolidinyl]-2,2-dimethyl-1-propanone
CID 10981083
1-[(2S)-2-(diphenylphosphanylmethyl)-4,4-dimethylpyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 11025347
(2S)-2-(diphenylphosphanylmethyl)-N,N-dimethylpyrrolidine-1-carboxamide
CID 11121360
(5S)-5-(diphenylphosphanylmethyl)pyrrolidin-2-one
CID 15528775

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]ethanone (CID 10543057) is 1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@H]1CP(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is WHLYEUMKEODZNF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22NOP/c1-16(21)20-14-8-9-17(20)15-22(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,17H,8-9,14-15H2,1H3/t17-/m0/s1.
What are the key properties of 1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]ethanone?
1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 311.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 10543057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).