1-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-2,5-dione

C12H21NO2 — CID 58021036

IUPAC1-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1CC(=O)N(CC(C)(C)C)C1=O
InChIInChI=1S/C12H21NO2/c1-8(2)9-6-10(14)13(11(9)15)7-12(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyIUJPPCDWTHMKCA-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.06
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-2,5-dione

1-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 58021036) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID58021036
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1CC(=O)N(CC(C)(C)C)C1=O
InChIInChI=1S/C12H21NO2/c1-8(2)9-6-10(14)13(11(9)15)7-12(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyIUJPPCDWTHMKCA-UHFFFAOYSA-N
XLogP2.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.06
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

3-Ethyl-1,3-dimethyl-2,5-pyrrolidinedione
CID 26313
Valproyl-2-pyrrolidinone
CID 129151
1-(Cyclohexylmethyl)pyrrolidine-2,5-dione
CID 86020081
1-Butyl-3-pentylpyrrolidine-2,5-dione
CID 12028442
1,3,4,5-Tetramethylpyrrolidin-2-one
CID 14767583
3-isopropyl-N-methylsuccinimide
CID 57959296
1-Tert-butyl-4-propan-2-ylpyrrolidin-2-one
CID 85681497
1-Cyclohexyl-3,4-diethylpyrrolidine-2,5-dione
CID 90238281
3-[(3S)-3-methyl-3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]propanenitrile
CID 96391331
3-propan-2-yl-1-[(6R)-7,7,7-trifluoro-6-methylheptyl]pyrrolidine-2,5-dione
CID 130233326
1-(5-Fluoro-4,5-dimethyl-6-oxoheptyl)-3-methylpyrrolidine-2,5-dione
CID 139406489
3-(1-Fluoroethyl)-1-methyl-3-propan-2-ylpyrrolidin-2-one
CID 155363875

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-2,5-dione (CID 58021036) is 1-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-2,5-dione is CC(C)C1CC(=O)N(CC(C)(C)C)C1=O.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is IUJPPCDWTHMKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-8(2)9-6-10(14)13(11(9)15)7-12(3,4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-2,5-dione?
1-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 211.30 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 58021036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).