3-propan-2-ylpyrrolidine-2,5-dione

C7H11NO2 — CID 18442688

IUPAC3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1CC(=O)NC1=O
InChIInChI=1S/C7H11NO2/c1-4(2)5-3-6(9)8-7(5)10/h4-5H,3H2,1-2H3,(H,8,9,10)
InChIKeyJBSUHIQTOCAYPR-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.31
Rot. Bonds1

About 3-propan-2-ylpyrrolidine-2,5-dione

3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 18442688) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID18442688
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1CC(=O)NC1=O
InChIInChI=1S/C7H11NO2/c1-4(2)5-3-6(9)8-7(5)10/h4-5H,3H2,1-2H3,(H,8,9,10)
InChIKeyJBSUHIQTOCAYPR-UHFFFAOYSA-N
XLogP0.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethosuximide
CID 3291
(R)-Ethosuximide
CID 6603844
3,3,4-Trimethylpyrrolidine-2,5-dione
CID 550809
3,4-Dimethylpyrrolidine-2,5-dione
CID 3550866
3-Ethyl-4-methylpyrrolidine-2,5-dione
CID 20033949
3,3-Diethylpyrrolidine-2,5-dione
CID 222690
3,5,5-Trimethylpyrrolidin-2-one
CID 247984
4,5,5-Trimethyl-2-pyrrolidinone
CID 12560813
(S)-Ethosuximide
CID 10630591
3-Methyl-3-propyl-2,5-pyrrolidinedione
CID 73899
(3R,4R)-3,4-dimethylpyrrolidine-2,5-dione
CID 337234
3-Methyl-3-(2,2,2-trideuterioethyl)pyrrolidine-2,5-dione
CID 46781517

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-propan-2-ylpyrrolidine-2,5-dione (CID 18442688) is 3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-propan-2-ylpyrrolidine-2,5-dione is CC(C)C1CC(=O)NC1=O.
What is the InChIKey of 3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is JBSUHIQTOCAYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-4(2)5-3-6(9)8-7(5)10/h4-5H,3H2,1-2H3,(H,8,9,10).
What are the key properties of 3-propan-2-ylpyrrolidine-2,5-dione?
3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 141.17 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 18442688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).