1-[(2S)-2-(diphenylphosphanylmethyl)-4,4-dimethylpyrrolidin-1-yl]-2,2-dimethylpropan-1-one

C24H32NOP — CID 11025347

IUPAC1-[(2S)-2-(diphenylphosphanylmethyl)-4,4-dimethylpyrrolidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC1(C)C[C@@H](CP(c2ccccc2)c2ccccc2)N(C(=O)C(C)(C)C)C1
InChIInChI=1S/C24H32NOP/c1-23(2,3)22(26)25-18-24(4,5)16-19(25)17-27(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,19H,16-18H2,1-5H3/t19-/m0/s1
InChIKeyPVLZVMHIWIJCHH-IBGZPJMESA-N
MW381.50 g/mol
LogP4.79
Rot. Bonds4

About 1-[(2S)-2-(diphenylphosphanylmethyl)-4,4-dimethylpyrrolidin-1-yl]-2,2-dimethylpropan-1-one

1-[(2S)-2-(diphenylphosphanylmethyl)-4,4-dimethylpyrrolidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 11025347) has the molecular formula C24H32NOP and a molecular weight of 381.50 g/mol. Its IUPAC name is 1-[(2S)-2-(diphenylphosphanylmethyl)-4,4-dimethylpyrrolidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-(diphenylphosphanylmethyl)-4,4-dimethylpyrrolidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID11025347
Molecular FormulaC24H32NOP
Molecular Weight381.50 g/mol
Exact Mass381.22
IUPAC Name1-[(2S)-2-(diphenylphosphanylmethyl)-4,4-dimethylpyrrolidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC1(C)C[C@@H](CP(c2ccccc2)c2ccccc2)N(C(=O)C(C)(C)C)C1
InChIInChI=1S/C24H32NOP/c1-23(2,3)22(26)25-18-24(4,5)16-19(25)17-27(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,19H,16-18H2,1-5H3/t19-/m0/s1
InChIKeyPVLZVMHIWIJCHH-IBGZPJMESA-N
XLogP4.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.79
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
(5S)-5-(diphenylphosphanylmethyl)-3,3-dimethylpyrrolidin-2-one
CID 15416363
Diphenyl(dibutylcarba-moylmethyl)phosphine
CID 15769528
1-(2-Methyl-4,4-diphenylpyrrolidin-1-yl)ethanone
CID 101393401
cis-(1R,2S)-2-diphenylphosphoryl-1-methyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide
CID 102475093
Diphenyl(dibutylcarbamoylethyl)phosphine
CID 129762766
CID 134899669
CID 134899669
Lithium 5-(diphenylphosphanylmethyl)-3,3-dimethylpyrrolidin-1-id-2-one
CID 134991643
1-[(2R)-2-methyl-4,4-diphenylpyrrolidin-1-yl]ethanone
CID 135061966
(S,E)-1-cyclohexyl-3-ethyl-3-(5-phenylpent-1-en-1-yl)pyrrolidin-2-one
CID 154732557
1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 15446209
1-[(1S,3R,4R)-3-(diphenylphosphanylmethyl)-2-azabicyclo[2.2.1]heptan-2-yl]-2,2-dimethylpropan-1-one
CID 11337957

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(diphenylphosphanylmethyl)-4,4-dimethylpyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[(2S)-2-(diphenylphosphanylmethyl)-4,4-dimethylpyrrolidin-1-yl]-2,2-dimethylpropan-1-one (CID 11025347) is 1-[(2S)-2-(diphenylphosphanylmethyl)-4,4-dimethylpyrrolidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[(2S)-2-(diphenylphosphanylmethyl)-4,4-dimethylpyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[(2S)-2-(diphenylphosphanylmethyl)-4,4-dimethylpyrrolidin-1-yl]-2,2-dimethylpropan-1-one is CC1(C)C[C@@H](CP(c2ccccc2)c2ccccc2)N(C(=O)C(C)(C)C)C1.
What is the InChIKey of 1-[(2S)-2-(diphenylphosphanylmethyl)-4,4-dimethylpyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is PVLZVMHIWIJCHH-IBGZPJMESA-N. The full InChI is InChI=1S/C24H32NOP/c1-23(2,3)22(26)25-18-24(4,5)16-19(25)17-27(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,19H,16-18H2,1-5H3/t19-/m0/s1.
What are the key properties of 1-[(2S)-2-(diphenylphosphanylmethyl)-4,4-dimethylpyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
1-[(2S)-2-(diphenylphosphanylmethyl)-4,4-dimethylpyrrolidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 381.50 g/mol, XLogP of 4.79, 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)-4,4-dimethylpyrrolidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 11025347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).