5,5-dimethyl-4-phenylpyrrolidin-2-one

C12H15NO — CID 12560815

IUPAC5,5-dimethyl-4-phenylpyrrolidin-2-one
SMILESCC1(C)NC(=O)CC1c1ccccc1
InChIInChI=1S/C12H15NO/c1-12(2)10(8-11(14)13-12)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,13,14)
InChIKeyQJIXVNXAUDWTOC-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.07
Rot. Bonds1

About 5,5-dimethyl-4-phenylpyrrolidin-2-one

5,5-dimethyl-4-phenylpyrrolidin-2-one (PubChem CID 12560815) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 5,5-dimethyl-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name5,5-dimethyl-4-phenylpyrrolidin-2-one
PubChem CID12560815
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name5,5-dimethyl-4-phenylpyrrolidin-2-one
SMILESCC1(C)NC(=O)CC1c1ccccc1
InChIInChI=1S/C12H15NO/c1-12(2)10(8-11(14)13-12)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,13,14)
InChIKeyQJIXVNXAUDWTOC-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Phensuximide
CID 6839
Fonturacetam
CID 132441
2-Phenylbutanamide
CID 7011
4-Phenyl-2-pyrrolidinone
CID 121397
5-Benzylpyrrolidin-2-One
CID 99881
Fenimide
CID 6068
(+-)-alpha-Methyl-alpha-phenylsuccinimide
CID 92154
3-Phenylpyrrolidine-2,5-dione
CID 568890
3-(2-Fluorophenyl)pyrrolidine-2,5-dione
CID 50989418
alpha,alpha-Diphenylsuccinimide
CID 160692
2-Phenylpropionamide, (RS)-
CID 223465
(N-(2-Methyl-1-phenyl-2 propanyl) acetamide
CID 266405

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-phenylpyrrolidin-2-one?
The IUPAC name of 5,5-dimethyl-4-phenylpyrrolidin-2-one (CID 12560815) is 5,5-dimethyl-4-phenylpyrrolidin-2-one.
What is the SMILES notation for 5,5-dimethyl-4-phenylpyrrolidin-2-one?
The canonical SMILES for 5,5-dimethyl-4-phenylpyrrolidin-2-one is CC1(C)NC(=O)CC1c1ccccc1.
What is the InChIKey of 5,5-dimethyl-4-phenylpyrrolidin-2-one?
The InChIKey is QJIXVNXAUDWTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-12(2)10(8-11(14)13-12)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,13,14).
What are the key properties of 5,5-dimethyl-4-phenylpyrrolidin-2-one?
5,5-dimethyl-4-phenylpyrrolidin-2-one has a molecular weight of 189.26 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 12560815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).