(2R,3S)-2-methyl-1,3-diphenyl-3-pyrrolidin-1-ylpropan-1-one

C20H23NO — CID 10637492

IUPAC(2R,3S)-2-methyl-1,3-diphenyl-3-pyrrolidin-1-ylpropan-1-one
SMILESC[C@@H](C(=O)c1ccccc1)[C@@H](c1ccccc1)N1CCCC1
InChIInChI=1S/C20H23NO/c1-16(20(22)18-12-6-3-7-13-18)19(21-14-8-9-15-21)17-10-4-2-5-11-17/h2-7,10-13,16,19H,8-9,14-15H2,1H3/t16-,19+/m1/s1
InChIKeyPJCALPLYDLGSCM-APWZRJJASA-N
MW293.41 g/mol
LogP4.34
Rot. Bonds5

About (2R,3S)-2-methyl-1,3-diphenyl-3-pyrrolidin-1-ylpropan-1-one

(2R,3S)-2-methyl-1,3-diphenyl-3-pyrrolidin-1-ylpropan-1-one (PubChem CID 10637492) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (2R,3S)-2-methyl-1,3-diphenyl-3-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R,3S)-2-methyl-1,3-diphenyl-3-pyrrolidin-1-ylpropan-1-one
PubChem CID10637492
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(2R,3S)-2-methyl-1,3-diphenyl-3-pyrrolidin-1-ylpropan-1-one
SMILESC[C@@H](C(=O)c1ccccc1)[C@@H](c1ccccc1)N1CCCC1
InChIInChI=1S/C20H23NO/c1-16(20(22)18-12-6-3-7-13-18)19(21-14-8-9-15-21)17-10-4-2-5-11-17/h2-7,10-13,16,19H,8-9,14-15H2,1H3/t16-,19+/m1/s1
InChIKeyPJCALPLYDLGSCM-APWZRJJASA-N
XLogP4.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-2-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 21114962
3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-one
CID 69248199
(1S,2R)-1,2-diphenyl-2-pyrrolidin-1-ylethanol
CID 15065412
(1R,2S)-1,2-diphenyl-2-piperidin-1-ylethanol
CID 23251237
1-[(2R)-2-nitro-1-phenylpropyl]piperidine
CID 134884394
(2S,3S)-2-hydroxy-3-morpholin-4-yl-1,3-diphenylpropan-1-one
CID 1481632
(1R,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
CID 11830572
(2S)-1-phenyl-2-pyrrolidin-1-ylpentan-1-one
CID 86310958
(2R,3S)-3-anilino-2-methyl-1,3-diphenylpropan-1-one
CID 11056163
2-methyl-1,3-diphenyl-2,3-di(piperidin-1-yl)propan-1-one
CID 54364623
1-(2-methyl-1-phenylpropyl)piperidine-3-carboxylic acid
CID 65054275
(1R,2S)-3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-ol
CID 23249780

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-1,3-diphenyl-3-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2R,3S)-2-methyl-1,3-diphenyl-3-pyrrolidin-1-ylpropan-1-one (CID 10637492) is (2R,3S)-2-methyl-1,3-diphenyl-3-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2R,3S)-2-methyl-1,3-diphenyl-3-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2R,3S)-2-methyl-1,3-diphenyl-3-pyrrolidin-1-ylpropan-1-one is C[C@@H](C(=O)c1ccccc1)[C@@H](c1ccccc1)N1CCCC1.
What is the InChIKey of (2R,3S)-2-methyl-1,3-diphenyl-3-pyrrolidin-1-ylpropan-1-one?
The InChIKey is PJCALPLYDLGSCM-APWZRJJASA-N. The full InChI is InChI=1S/C20H23NO/c1-16(20(22)18-12-6-3-7-13-18)19(21-14-8-9-15-21)17-10-4-2-5-11-17/h2-7,10-13,16,19H,8-9,14-15H2,1H3/t16-,19+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-1,3-diphenyl-3-pyrrolidin-1-ylpropan-1-one?
(2R,3S)-2-methyl-1,3-diphenyl-3-pyrrolidin-1-ylpropan-1-one has a molecular weight of 293.41 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-1,3-diphenyl-3-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 10637492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).