1,2,2-trimethyl-5-phenylpyrrolidin-3-one

C13H17NO — CID 6420665

IUPAC1,2,2-trimethyl-5-phenylpyrrolidin-3-one
SMILESCN1C(c2ccccc2)CC(=O)C1(C)C
InChIInChI=1S/C13H17NO/c1-13(2)12(15)9-11(14(13)3)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3
InChIKeyUCUDTEQUMMNXBM-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.41
Rot. Bonds1

About 1,2,2-trimethyl-5-phenylpyrrolidin-3-one

1,2,2-trimethyl-5-phenylpyrrolidin-3-one (PubChem CID 6420665) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 1,2,2-trimethyl-5-phenylpyrrolidin-3-one.

Molecular Properties

Compound Name1,2,2-trimethyl-5-phenylpyrrolidin-3-one
PubChem CID6420665
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name1,2,2-trimethyl-5-phenylpyrrolidin-3-one
SMILESCN1C(c2ccccc2)CC(=O)C1(C)C
InChIInChI=1S/C13H17NO/c1-13(2)12(15)9-11(14(13)3)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3
InChIKeyUCUDTEQUMMNXBM-UHFFFAOYSA-N
XLogP2.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,6S)-1-acetyl-3,3-dimethyl-2,6-diphenylpiperidin-4-one
CID 139076949
4a-hydroxy-1-methyl-2-phenyl-2,3,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4-one
CID 23935811
(2R,4aR,8aS)-4a-hydroxy-1-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinolin-4-one
CID 11889561
1-methyl-6-phenylpiperidine-2,4-dione
CID 10035783
(3R)-1,2,2-trimethyl-3-phenylaziridine
CID 99770138
1,2,2,3-tetramethyl-6-phenylpiperidine;hydrate
CID 174976143
(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-one
CID 11909630
N-[(2S,6R)-1-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
CID 873157
(2S,5R)-5-hydroxy-1,5-dimethyl-2-(3-methylphenyl)piperidin-4-one
CID 3050446
2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one
CID 10609923
CID 102411594
CID 102411594
1-(4,5-dimethyl-2-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 71394500

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethyl-5-phenylpyrrolidin-3-one?
The IUPAC name of 1,2,2-trimethyl-5-phenylpyrrolidin-3-one (CID 6420665) is 1,2,2-trimethyl-5-phenylpyrrolidin-3-one.
What is the SMILES notation for 1,2,2-trimethyl-5-phenylpyrrolidin-3-one?
The canonical SMILES for 1,2,2-trimethyl-5-phenylpyrrolidin-3-one is CN1C(c2ccccc2)CC(=O)C1(C)C.
What is the InChIKey of 1,2,2-trimethyl-5-phenylpyrrolidin-3-one?
The InChIKey is UCUDTEQUMMNXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-13(2)12(15)9-11(14(13)3)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3.
What are the key properties of 1,2,2-trimethyl-5-phenylpyrrolidin-3-one?
1,2,2-trimethyl-5-phenylpyrrolidin-3-one has a molecular weight of 203.29 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethyl-5-phenylpyrrolidin-3-one is sourced from PubChem (CID 6420665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).