(3R,4S,5R)-3,5-dimethyl-4-phenylpyrrolidin-2-one

C12H15NO — CID 15432500

IUPAC(3R,4S,5R)-3,5-dimethyl-4-phenylpyrrolidin-2-one
SMILESC[C@H]1NC(=O)[C@H](C)[C@H]1c1ccccc1
InChIInChI=1S/C12H15NO/c1-8-11(9(2)13-12(8)14)10-6-4-3-5-7-10/h3-9,11H,1-2H3,(H,13,14)/t8-,9-,11-/m1/s1
InChIKeyQLYQZBJMESVXCY-FXPVBKGRSA-N
MW189.26 g/mol
LogP1.92
Rot. Bonds1

About (3R,4S,5R)-3,5-dimethyl-4-phenylpyrrolidin-2-one

(3R,4S,5R)-3,5-dimethyl-4-phenylpyrrolidin-2-one (PubChem CID 15432500) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (3R,4S,5R)-3,5-dimethyl-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4S,5R)-3,5-dimethyl-4-phenylpyrrolidin-2-one
PubChem CID15432500
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(3R,4S,5R)-3,5-dimethyl-4-phenylpyrrolidin-2-one
SMILESC[C@H]1NC(=O)[C@H](C)[C@H]1c1ccccc1
InChIInChI=1S/C12H15NO/c1-8-11(9(2)13-12(8)14)10-6-4-3-5-7-10/h3-9,11H,1-2H3,(H,13,14)/t8-,9-,11-/m1/s1
InChIKeyQLYQZBJMESVXCY-FXPVBKGRSA-N
XLogP1.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 15038927
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CID 140892299
(1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 135285970
(4S)-4-(chloroamino)-3-methyl-5-phenylpyrrolidin-2-one
CID 154994053
2-methyl-3,4-diphenylcyclobutan-1-one
CID 12734579
(3R,4S)-3-methyl-4-phenylpyrrolidine-2,5-dione
CID 917022
(3S,4R,5S)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-5-phenylpyrrolidin-2-one
CID 101033464
(3R,6S)-3,6-diphenylpiperazine-2,5-dione
CID 11323083
5-chloro-6-methyl-2-phenyl-1,3-diazinan-4-one
CID 78207197
3-benzyl-4-methylazetidin-2-one
CID 55255467
2-ethyl-4-methyl-3-phenylcyclobutan-1-one
CID 81421315
(3R)-3-methyl-5-phenylpyrrolidin-2-one
CID 155223213

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-3,5-dimethyl-4-phenylpyrrolidin-2-one?
The IUPAC name of (3R,4S,5R)-3,5-dimethyl-4-phenylpyrrolidin-2-one (CID 15432500) is (3R,4S,5R)-3,5-dimethyl-4-phenylpyrrolidin-2-one.
What is the SMILES notation for (3R,4S,5R)-3,5-dimethyl-4-phenylpyrrolidin-2-one?
The canonical SMILES for (3R,4S,5R)-3,5-dimethyl-4-phenylpyrrolidin-2-one is C[C@H]1NC(=O)[C@H](C)[C@H]1c1ccccc1.
What is the InChIKey of (3R,4S,5R)-3,5-dimethyl-4-phenylpyrrolidin-2-one?
The InChIKey is QLYQZBJMESVXCY-FXPVBKGRSA-N. The full InChI is InChI=1S/C12H15NO/c1-8-11(9(2)13-12(8)14)10-6-4-3-5-7-10/h3-9,11H,1-2H3,(H,13,14)/t8-,9-,11-/m1/s1.
What are the key properties of (3R,4S,5R)-3,5-dimethyl-4-phenylpyrrolidin-2-one?
(3R,4S,5R)-3,5-dimethyl-4-phenylpyrrolidin-2-one has a molecular weight of 189.26 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-3,5-dimethyl-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 15432500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).