(5S)-5-(diphenylphosphanylmethyl)-3,3-dimethylpyrrolidin-2-one

C19H22NOP — CID 15416363

IUPAC(5S)-5-(diphenylphosphanylmethyl)-3,3-dimethylpyrrolidin-2-one
SMILESCC1(C)C[C@@H](CP(c2ccccc2)c2ccccc2)NC1=O
InChIInChI=1S/C19H22NOP/c1-19(2)13-15(20-18(19)21)14-22(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKeyVMXVGIJGZNZGBL-HNNXBMFYSA-N
MW311.37 g/mol
LogP3.03
Rot. Bonds4

About (5S)-5-(diphenylphosphanylmethyl)-3,3-dimethylpyrrolidin-2-one

(5S)-5-(diphenylphosphanylmethyl)-3,3-dimethylpyrrolidin-2-one (PubChem CID 15416363) has the molecular formula C19H22NOP and a molecular weight of 311.37 g/mol. Its IUPAC name is (5S)-5-(diphenylphosphanylmethyl)-3,3-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(diphenylphosphanylmethyl)-3,3-dimethylpyrrolidin-2-one
PubChem CID15416363
Molecular FormulaC19H22NOP
Molecular Weight311.37 g/mol
Exact Mass311.14
IUPAC Name(5S)-5-(diphenylphosphanylmethyl)-3,3-dimethylpyrrolidin-2-one
SMILESCC1(C)C[C@@H](CP(c2ccccc2)c2ccccc2)NC1=O
InChIInChI=1S/C19H22NOP/c1-19(2)13-15(20-18(19)21)14-22(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKeyVMXVGIJGZNZGBL-HNNXBMFYSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-5-(difenylfosfinyl)pentanamid
CID 169437460
5-Methyl-3,3-diphenylpyrrolidin-2-one
CID 23263862
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
(5S)-5-(diphenylphosphanylmethyl)pyrrolidin-2-one
CID 15528775
Lithium 5-(diphenylphosphanylmethyl)-3,3-dimethylpyrrolidin-1-id-2-one
CID 134991643
N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]acetamide
CID 135022195
(S)-N-(1-(Diphenylphosphanyl)-3-methylbutan-2-yl)pivalamide
CID 164676513
N-[(2S)-1-(iodo-methyl-diphenyl-lambda5-phosphanyl)-3-methylbutan-2-yl]-2,2-dimethylpropanamide
CID 164678425
[(2S)-2-(2,2-dimethylpropanoylamino)-3-methylbutyl]-methyl-diphenylphosphanium iodide
CID 176425165
(5R)-5-methyl-3,3-diphenylpyrrolidin-2-one
CID 9834822
(5S)-5-methyl-3,3-diphenylpyrrolidin-2-one
CID 9942977

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(diphenylphosphanylmethyl)-3,3-dimethylpyrrolidin-2-one?
The IUPAC name of (5S)-5-(diphenylphosphanylmethyl)-3,3-dimethylpyrrolidin-2-one (CID 15416363) is (5S)-5-(diphenylphosphanylmethyl)-3,3-dimethylpyrrolidin-2-one.
What is the SMILES notation for (5S)-5-(diphenylphosphanylmethyl)-3,3-dimethylpyrrolidin-2-one?
The canonical SMILES for (5S)-5-(diphenylphosphanylmethyl)-3,3-dimethylpyrrolidin-2-one is CC1(C)C[C@@H](CP(c2ccccc2)c2ccccc2)NC1=O.
What is the InChIKey of (5S)-5-(diphenylphosphanylmethyl)-3,3-dimethylpyrrolidin-2-one?
The InChIKey is VMXVGIJGZNZGBL-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22NOP/c1-19(2)13-15(20-18(19)21)14-22(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H,20,21)/t15-/m0/s1.
What are the key properties of (5S)-5-(diphenylphosphanylmethyl)-3,3-dimethylpyrrolidin-2-one?
(5S)-5-(diphenylphosphanylmethyl)-3,3-dimethylpyrrolidin-2-one has a molecular weight of 311.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(diphenylphosphanylmethyl)-3,3-dimethylpyrrolidin-2-one is sourced from PubChem (CID 15416363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).