(5S)-5-(diphenylphosphanylmethyl)pyrrolidin-2-one

C17H18NOP — CID 15528775

IUPAC(5S)-5-(diphenylphosphanylmethyl)pyrrolidin-2-one
SMILESO=C1CC[C@@H](CP(c2ccccc2)c2ccccc2)N1
InChIInChI=1S/C17H18NOP/c19-17-12-11-14(18-17)13-20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14H,11-13H2,(H,18,19)/t14-/m0/s1
InChIKeyBUIUYHFLOPTAPL-AWEZNQCLSA-N
MW283.31 g/mol
LogP2.40
Rot. Bonds4

About (5S)-5-(diphenylphosphanylmethyl)pyrrolidin-2-one

(5S)-5-(diphenylphosphanylmethyl)pyrrolidin-2-one (PubChem CID 15528775) has the molecular formula C17H18NOP and a molecular weight of 283.31 g/mol. Its IUPAC name is (5S)-5-(diphenylphosphanylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(diphenylphosphanylmethyl)pyrrolidin-2-one
PubChem CID15528775
Molecular FormulaC17H18NOP
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name(5S)-5-(diphenylphosphanylmethyl)pyrrolidin-2-one
SMILESO=C1CC[C@@H](CP(c2ccccc2)c2ccccc2)N1
InChIInChI=1S/C17H18NOP/c19-17-12-11-14(18-17)13-20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14H,11-13H2,(H,18,19)/t14-/m0/s1
InChIKeyBUIUYHFLOPTAPL-AWEZNQCLSA-N
XLogP2.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.40
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
(S)-2-[(Diphenylphosphino)methyl]pyrrolidine
CID 11272693
2-Diphenylphosphino methylpyrrolidine
CID 14641614
1-[(2S)-2-[(Diphenylphosphino)methyl]-1-pyrrolidinyl]-2,2-dimethyl-1-propanone
CID 10981083
(5S)-5-(diphenylphosphanylmethyl)-3,3-dimethylpyrrolidin-2-one
CID 15416363
2-(diphenylphosphoryl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 129770693
3-[bromo(triphenyl)-lambda5-phosphanyl]-N-cyclohexylpropanamide
CID 134977833
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
[3-(Cyclohexylamino)-3-oxopropyl]-triphenylphosphanium bromide
CID 176444741
6-Bis(4-fluorophenyl)phosphanylpiperidin-2-one
CID 76530787

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(diphenylphosphanylmethyl)pyrrolidin-2-one?
The IUPAC name of (5S)-5-(diphenylphosphanylmethyl)pyrrolidin-2-one (CID 15528775) is (5S)-5-(diphenylphosphanylmethyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-(diphenylphosphanylmethyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-5-(diphenylphosphanylmethyl)pyrrolidin-2-one is O=C1CC[C@@H](CP(c2ccccc2)c2ccccc2)N1.
What is the InChIKey of (5S)-5-(diphenylphosphanylmethyl)pyrrolidin-2-one?
The InChIKey is BUIUYHFLOPTAPL-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18NOP/c19-17-12-11-14(18-17)13-20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14H,11-13H2,(H,18,19)/t14-/m0/s1.
What are the key properties of (5S)-5-(diphenylphosphanylmethyl)pyrrolidin-2-one?
(5S)-5-(diphenylphosphanylmethyl)pyrrolidin-2-one has a molecular weight of 283.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(diphenylphosphanylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 15528775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).