lithium 5-(diphenylphosphanylmethyl)-3,3-dimethylpyrrolidin-1-id-2-one

C19H21LiNOP — CID 134991643

IUPAClithium 5-(diphenylphosphanylmethyl)-3,3-dimethylpyrrolidin-1-id-2-one
SMILESCC1(C)CC(CP(c2ccccc2)c2ccccc2)[N-]C1=O.[Li+]
InChIInChI=1S/C19H22NOP.Li/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);/q;+1/p-1
InChIKeyMECANQSHQOHZOO-UHFFFAOYSA-M
MW317.30 g/mol
LogP0.82
Rot. Bonds4

About lithium 5-(diphenylphosphanylmethyl)-3,3-dimethylpyrrolidin-1-id-2-one

lithium 5-(diphenylphosphanylmethyl)-3,3-dimethylpyrrolidin-1-id-2-one (PubChem CID 134991643) has the molecular formula C19H21LiNOP and a molecular weight of 317.30 g/mol. Its IUPAC name is lithium 5-(diphenylphosphanylmethyl)-3,3-dimethylpyrrolidin-1-id-2-one.

Molecular Properties

Compound Namelithium 5-(diphenylphosphanylmethyl)-3,3-dimethylpyrrolidin-1-id-2-one
PubChem CID134991643
Molecular FormulaC19H21LiNOP
Molecular Weight317.30 g/mol
Exact Mass317.15
IUPAC Namelithium 5-(diphenylphosphanylmethyl)-3,3-dimethylpyrrolidin-1-id-2-one
SMILESCC1(C)CC(CP(c2ccccc2)c2ccccc2)[N-]C1=O.[Li+]
InChIInChI=1S/C19H22NOP.Li/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);/q;+1/p-1
InChIKeyMECANQSHQOHZOO-UHFFFAOYSA-M
XLogP0.82
TPSA31.17 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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)-3,3-dimethylpyrrolidin-2-one
CID 15416363
1,3,3-Trimethyl-5-(phenylselanylmethyl)pyrrolidin-2-one
CID 15507886
(5S)-5-(diphenylphosphanylmethyl)pyrrolidin-2-one
CID 15528775
(S,E)-1-cyclohexyl-3-ethyl-3-(5-phenylpent-1-en-1-yl)pyrrolidin-2-one
CID 154732557
1-[(1S,3R,4R)-3-(diphenylphosphanylmethyl)-2-azabicyclo[2.2.1]heptan-2-yl]-2,2-dimethylpropan-1-one
CID 11337957
1-(1-Diphenylphosphanylethyl)pyrrolidin-2-one
CID 17845756
1-Methyl-3-[(triphenyl-lambda5-phosphanylidene)methyl]pyrrolidin-2-one
CID 18699028
1-(2-Diphenylphosphanylethyl)pyrrolidin-2-one
CID 20189060
(1-Tert-butyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide
CID 22403727
(2R)-2-diphenylphosphanyl-N,N-di(propan-2-yl)cyclopentane-1-carboxamide
CID 58921855

Frequently Asked Questions

What is the IUPAC name of lithium 5-(diphenylphosphanylmethyl)-3,3-dimethylpyrrolidin-1-id-2-one?
The IUPAC name of lithium 5-(diphenylphosphanylmethyl)-3,3-dimethylpyrrolidin-1-id-2-one (CID 134991643) is lithium 5-(diphenylphosphanylmethyl)-3,3-dimethylpyrrolidin-1-id-2-one.
What is the SMILES notation for lithium 5-(diphenylphosphanylmethyl)-3,3-dimethylpyrrolidin-1-id-2-one?
The canonical SMILES for lithium 5-(diphenylphosphanylmethyl)-3,3-dimethylpyrrolidin-1-id-2-one is CC1(C)CC(CP(c2ccccc2)c2ccccc2)[N-]C1=O.[Li+].
What is the InChIKey of lithium 5-(diphenylphosphanylmethyl)-3,3-dimethylpyrrolidin-1-id-2-one?
The InChIKey is MECANQSHQOHZOO-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H22NOP.Li/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);/q;+1/p-1.
What are the key properties of lithium 5-(diphenylphosphanylmethyl)-3,3-dimethylpyrrolidin-1-id-2-one?
lithium 5-(diphenylphosphanylmethyl)-3,3-dimethylpyrrolidin-1-id-2-one has a molecular weight of 317.30 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-(diphenylphosphanylmethyl)-3,3-dimethylpyrrolidin-1-id-2-one is sourced from PubChem (CID 134991643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).