4-(2,2-dimethylpropyl)-5-phenylpyrrolidin-2-one

C15H21NO — CID 66102599

IUPAC4-(2,2-dimethylpropyl)-5-phenylpyrrolidin-2-one
SMILESCC(C)(C)CC1CC(=O)NC1c1ccccc1
InChIInChI=1S/C15H21NO/c1-15(2,3)10-12-9-13(17)16-14(12)11-7-5-4-6-8-11/h4-8,12,14H,9-10H2,1-3H3,(H,16,17)
InChIKeyIJLJRGNUYTXLOI-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.30
Rot. Bonds2

About 4-(2,2-dimethylpropyl)-5-phenylpyrrolidin-2-one

4-(2,2-dimethylpropyl)-5-phenylpyrrolidin-2-one (PubChem CID 66102599) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-5-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-5-phenylpyrrolidin-2-one
PubChem CID66102599
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name4-(2,2-dimethylpropyl)-5-phenylpyrrolidin-2-one
SMILESCC(C)(C)CC1CC(=O)NC1c1ccccc1
InChIInChI=1S/C15H21NO/c1-15(2,3)10-12-9-13(17)16-14(12)11-7-5-4-6-8-11/h4-8,12,14H,9-10H2,1-3H3,(H,16,17)
InChIKeyIJLJRGNUYTXLOI-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4R,5S)-4-amino-5-phenylpyrrolidin-2-one
CID 95435375
4-amino-5-phenylpyrrolidin-2-one
CID 75606920
(4S)-4-amino-5-phenylpyrrolidin-2-one;(4S,5R)-4-amino-5-phenylpyrrolidin-2-one
CID 158341952
(5S,6S)-5-(hydroxymethyl)-6-phenylpiperidin-2-one
CID 168925086
2,2-difluoro-N-[(2S,3R)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
CID 138684556
4-(3-methylimidazol-4-yl)-5-phenylpyrrolidin-2-one
CID 66118016
(5S,6R)-5,6-diphenylpiperidin-2-one
CID 67807202
(5S,6R)-5-hydroxy-6-phenylpiperidin-2-one
CID 102384339
5-amino-4,6-diphenylpiperidin-2-one
CID 19012812
(5S,6R)-5,6-diphenylpiperazin-2-one
CID 53393309
2-ethyl-6-phenyl-1,3-diazinan-4-one
CID 78214180
6,13-dimethyl-7,14-diphenyl-1,8-diazacyclotetradeca-4,11-diene-2,9-dione
CID 75307773

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-5-phenylpyrrolidin-2-one?
The IUPAC name of 4-(2,2-dimethylpropyl)-5-phenylpyrrolidin-2-one (CID 66102599) is 4-(2,2-dimethylpropyl)-5-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-5-phenylpyrrolidin-2-one?
The canonical SMILES for 4-(2,2-dimethylpropyl)-5-phenylpyrrolidin-2-one is CC(C)(C)CC1CC(=O)NC1c1ccccc1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-5-phenylpyrrolidin-2-one?
The InChIKey is IJLJRGNUYTXLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-15(2,3)10-12-9-13(17)16-14(12)11-7-5-4-6-8-11/h4-8,12,14H,9-10H2,1-3H3,(H,16,17).
What are the key properties of 4-(2,2-dimethylpropyl)-5-phenylpyrrolidin-2-one?
4-(2,2-dimethylpropyl)-5-phenylpyrrolidin-2-one has a molecular weight of 231.34 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-5-phenylpyrrolidin-2-one is sourced from PubChem (CID 66102599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).