1-[[chloro(triphenyl)-lambda5-phosphanyl]methyl]pyrrolidin-2-one

C23H23ClNOP — CID 15099948

IUPAC1-[[chloro(triphenyl)-lambda5-phosphanyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23ClNOP/c24-27(20-11-4-1-5-12-20,21-13-6-2-7-14-21,22-15-8-3-9-16-22)19-25-18-10-17-23(25)26/h1-9,11-16H,10,17-19H2
InChIKeyLGXFBMONQOKJLA-UHFFFAOYSA-N
MW395.87 g/mol
LogP4.25
Rot. Bonds5

About 1-[[chloro(triphenyl)-lambda5-phosphanyl]methyl]pyrrolidin-2-one

1-[[chloro(triphenyl)-lambda5-phosphanyl]methyl]pyrrolidin-2-one (PubChem CID 15099948) has the molecular formula C23H23ClNOP and a molecular weight of 395.87 g/mol. Its IUPAC name is 1-[[chloro(triphenyl)-lambda5-phosphanyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[chloro(triphenyl)-lambda5-phosphanyl]methyl]pyrrolidin-2-one
PubChem CID15099948
Molecular FormulaC23H23ClNOP
Molecular Weight395.87 g/mol
Exact Mass395.12
IUPAC Name1-[[chloro(triphenyl)-lambda5-phosphanyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23ClNOP/c24-27(20-11-4-1-5-12-20,21-13-6-2-7-14-21,22-15-8-3-9-16-22)19-25-18-10-17-23(25)26/h1-9,11-16H,10,17-19H2
InChIKeyLGXFBMONQOKJLA-UHFFFAOYSA-N
XLogP4.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.87
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[[chloro(triphenyl)-lambda5-phosphanyl]methyl]pyrrolidin-2-one 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

3-(Triphenylphosphoranylidene)-2,5-pyrrolidinedione
CID 13611383
Pyrrolidin-1-yl(triphenylstannyl)methanone
CID 14028202
Rac-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyrrolidinyl]-triphenylphosphonium bromide
CID 10505810
[2-Oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-triphenylphosphanium
CID 10505811
[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-triphenylphosphanium bromide
CID 87795389
3-[Bromo(triphenyl)-lambda5-phosphanyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 145826099
1-[(2S)-2-[(Diphenylphosphino)methyl]-1-pyrrolidinyl]-2,2-dimethyl-1-propanone
CID 10981083
Diphenyl(dibutylcarba-moylmethyl)phosphine
CID 15769528
[2-(Diethylamino)-2-oxoethyl]-triphenylphosphanium bromide
CID 85687272
Diphenyl(dibutylcarbamoylethyl)phosphine
CID 129762766
2-[bromo(triphenyl)-lambda5-phosphanyl]-N,N-diethylacetamide
CID 134872013
[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-triphenylphosphanium
CID 87795390

Frequently Asked Questions

What is the IUPAC name of 1-[[chloro(triphenyl)-lambda5-phosphanyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[chloro(triphenyl)-lambda5-phosphanyl]methyl]pyrrolidin-2-one (CID 15099948) is 1-[[chloro(triphenyl)-lambda5-phosphanyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[chloro(triphenyl)-lambda5-phosphanyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[chloro(triphenyl)-lambda5-phosphanyl]methyl]pyrrolidin-2-one is O=C1CCCN1CP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[[chloro(triphenyl)-lambda5-phosphanyl]methyl]pyrrolidin-2-one?
The InChIKey is LGXFBMONQOKJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClNOP/c24-27(20-11-4-1-5-12-20,21-13-6-2-7-14-21,22-15-8-3-9-16-22)19-25-18-10-17-23(25)26/h1-9,11-16H,10,17-19H2.
What are the key properties of 1-[[chloro(triphenyl)-lambda5-phosphanyl]methyl]pyrrolidin-2-one?
1-[[chloro(triphenyl)-lambda5-phosphanyl]methyl]pyrrolidin-2-one has a molecular weight of 395.87 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[chloro(triphenyl)-lambda5-phosphanyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 15099948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).