1-(1-cyclobutyl-2-methylpropyl)pyrrolidine-2,3-dione

C12H19NO2 — CID 130752252

IUPAC1-(1-cyclobutyl-2-methylpropyl)pyrrolidine-2,3-dione
SMILESCC(C)C(C1CCC1)N1CCC(=O)C1=O
InChIInChI=1S/C12H19NO2/c1-8(2)11(9-4-3-5-9)13-7-6-10(14)12(13)15/h8-9,11H,3-7H2,1-2H3
InChIKeyBELITSHMNUJBBK-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.61
Rot. Bonds3

About 1-(1-cyclobutyl-2-methylpropyl)pyrrolidine-2,3-dione

1-(1-cyclobutyl-2-methylpropyl)pyrrolidine-2,3-dione (PubChem CID 130752252) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(1-cyclobutyl-2-methylpropyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-(1-cyclobutyl-2-methylpropyl)pyrrolidine-2,3-dione
PubChem CID130752252
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-(1-cyclobutyl-2-methylpropyl)pyrrolidine-2,3-dione
SMILESCC(C)C(C1CCC1)N1CCC(=O)C1=O
InChIInChI=1S/C12H19NO2/c1-8(2)11(9-4-3-5-9)13-7-6-10(14)12(13)15/h8-9,11H,3-7H2,1-2H3
InChIKeyBELITSHMNUJBBK-UHFFFAOYSA-N
XLogP1.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-cyclobutyl-2-methylpropyl)pyrrolidin-3-one
CID 130752251
1-(1-cyclopentylethyl)-1,3-diazinane-2,4-dione
CID 79777176
1-(1-cyclobutyl-2-methylpropyl)pyrrolidin-3-amine
CID 130639012
1-hexan-2-ylpyrrolidine-2,3-dione
CID 62200791
1-(1-cyclohexylethyl)piperidine-2,4-dione
CID 79516160
1-(3-methylbutan-2-yl)-3-methylidenepyrrolidin-2-one
CID 155354880
4-cyclopropyl-2-(2,3-dioxopyrrolidin-1-yl)butanoic acid
CID 175497291
1-(1-cyclopentylethyl)-3-cyclopropyl-1,4-diazepane-2,5-dione
CID 64972303
1-(2,3,3-trimethylbutyl)pyrrolidine-2,3-dione
CID 83143865
2-(1-cyclohexylethyl)cyclopentan-1-one
CID 59616208
(3S)-3-bromo-1-propan-2-ylpiperidin-2-one
CID 95354937
3-methyl-1-(3-methylbutan-2-yl)-1,4-diazepane-2,5-dione
CID 64959675

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclobutyl-2-methylpropyl)pyrrolidine-2,3-dione?
The IUPAC name of 1-(1-cyclobutyl-2-methylpropyl)pyrrolidine-2,3-dione (CID 130752252) is 1-(1-cyclobutyl-2-methylpropyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 1-(1-cyclobutyl-2-methylpropyl)pyrrolidine-2,3-dione?
The canonical SMILES for 1-(1-cyclobutyl-2-methylpropyl)pyrrolidine-2,3-dione is CC(C)C(C1CCC1)N1CCC(=O)C1=O.
What is the InChIKey of 1-(1-cyclobutyl-2-methylpropyl)pyrrolidine-2,3-dione?
The InChIKey is BELITSHMNUJBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8(2)11(9-4-3-5-9)13-7-6-10(14)12(13)15/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 1-(1-cyclobutyl-2-methylpropyl)pyrrolidine-2,3-dione?
1-(1-cyclobutyl-2-methylpropyl)pyrrolidine-2,3-dione has a molecular weight of 209.29 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclobutyl-2-methylpropyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 130752252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).