1,3-dimethyl-3-phenylpyrrolidine-2,5-dione

C12H13NO2 — CID 6476

IUPAC1,3-dimethyl-3-phenylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(C)(c2ccccc2)C1=O
InChIInChI=1S/C12H13NO2/c1-12(9-6-4-3-5-7-9)8-10(14)13(2)11(12)15/h3-7H,8H2,1-2H3
InChIKeyAJXPJJZHWIXJCJ-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.33
Rot. Bonds1

About 1,3-dimethyl-3-phenylpyrrolidine-2,5-dione

1,3-dimethyl-3-phenylpyrrolidine-2,5-dione (PubChem CID 6476) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1,3-dimethyl-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1,3-dimethyl-3-phenylpyrrolidine-2,5-dione
PubChem CID6476
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1,3-dimethyl-3-phenylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(C)(c2ccccc2)C1=O
InChIInChI=1S/C12H13NO2/c1-12(9-6-4-3-5-7-9)8-10(14)13(2)11(12)15/h3-7H,8H2,1-2H3
InChIKeyAJXPJJZHWIXJCJ-UHFFFAOYSA-N
XLogP1.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Phensuximide
CID 6839
N,N-Diethyl-2-phenylacetamide
CID 17076
Sameridine
CID 65996
1,5-Dimethyl-3,3-diphenylpyrrolidin-2-one
CID 207584
Fenimide
CID 6068
Spiro-carboxamide scaffold, 13
CID 44143299
2,5-Pyrrolidinedione, 1-(2-phenylethyl)-
CID 95826
1-Pyrrolidinebutyramide, alpha,alpha-diphenyl-
CID 24845375
(+-)-alpha-Methyl-alpha-phenylsuccinimide
CID 92154
N,N-Dimethyl-2-phenylacetamide
CID 87853
3-Phenylpyrrolidine-2,5-dione
CID 568890
2-Phenyl-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 4388725

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 1,3-dimethyl-3-phenylpyrrolidine-2,5-dione (CID 6476) is 1,3-dimethyl-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1,3-dimethyl-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 1,3-dimethyl-3-phenylpyrrolidine-2,5-dione is CN1C(=O)CC(C)(c2ccccc2)C1=O.
What is the InChIKey of 1,3-dimethyl-3-phenylpyrrolidine-2,5-dione?
The InChIKey is AJXPJJZHWIXJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-12(9-6-4-3-5-7-9)8-10(14)13(2)11(12)15/h3-7H,8H2,1-2H3.
What are the key properties of 1,3-dimethyl-3-phenylpyrrolidine-2,5-dione?
1,3-dimethyl-3-phenylpyrrolidine-2,5-dione has a molecular weight of 203.24 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 6476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).