1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]propan-1-one

C20H24NOP — CID 15534450

IUPAC1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@H]1CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24NOP/c1-2-20(22)21-15-9-10-17(21)16-23(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,17H,2,9-10,15-16H2,1H3/t17-/m0/s1
InChIKeyZXGPLZNAOXTJTA-KRWDZBQOSA-N
MW325.39 g/mol
LogP3.52
Rot. Bonds5

About 1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]propan-1-one

1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 15534450) has the molecular formula C20H24NOP and a molecular weight of 325.39 g/mol. Its IUPAC name is 1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]propan-1-one
PubChem CID15534450
Molecular FormulaC20H24NOP
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@H]1CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24NOP/c1-2-20(22)21-15-9-10-17(21)16-23(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,17H,2,9-10,15-16H2,1H3/t17-/m0/s1
InChIKeyZXGPLZNAOXTJTA-KRWDZBQOSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.52
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

CID 11386099
CID 11386099
[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-(2-propylsulfanylphenyl)methanone
CID 100934790
1-[2-(phenoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 142036385
[2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-diphenylphosphane
CID 53427371
1-[2-(chloromethyl)pyrrolidin-1-yl]propan-1-one
CID 63394674
3-[2-[(1-propanoylpyrrolidin-2-yl)methyl]phenyl]prop-2-ynoic acid
CID 142036182
1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 79546453
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one
CID 63090742
1-[(3R)-3-[(2R)-2-benzylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 95297085
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
(2R)-1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-N,N-dimethyl-3-phenylpropan-2-amine
CID 101255158

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]propan-1-one (CID 15534450) is 1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCC[C@H]1CP(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is ZXGPLZNAOXTJTA-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24NOP/c1-2-20(22)21-15-9-10-17(21)16-23(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,17H,2,9-10,15-16H2,1H3/t17-/m0/s1.
What are the key properties of 1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]propan-1-one?
1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 325.39 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 15534450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).