1-tert-butyl-3-(2,2-dimethylbutyl)pyrrolidine-2,5-dione

C14H25NO2 — CID 170254853

IUPAC1-tert-butyl-3-(2,2-dimethylbutyl)pyrrolidine-2,5-dione
SMILESCCC(C)(C)CC1CC(=O)N(C(C)(C)C)C1=O
InChIInChI=1S/C14H25NO2/c1-7-14(5,6)9-10-8-11(16)15(12(10)17)13(2,3)4/h10H,7-9H2,1-6H3
InChIKeySBFPDJLKOBKBMM-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.99
Rot. Bonds3

About 1-tert-butyl-3-(2,2-dimethylbutyl)pyrrolidine-2,5-dione

1-tert-butyl-3-(2,2-dimethylbutyl)pyrrolidine-2,5-dione (PubChem CID 170254853) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-tert-butyl-3-(2,2-dimethylbutyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-tert-butyl-3-(2,2-dimethylbutyl)pyrrolidine-2,5-dione
PubChem CID170254853
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-tert-butyl-3-(2,2-dimethylbutyl)pyrrolidine-2,5-dione
SMILESCCC(C)(C)CC1CC(=O)N(C(C)(C)C)C1=O
InChIInChI=1S/C14H25NO2/c1-7-14(5,6)9-10-8-11(16)15(12(10)17)13(2,3)4/h10H,7-9H2,1-6H3
InChIKeySBFPDJLKOBKBMM-UHFFFAOYSA-N
XLogP2.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.99
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

1-tert-butyl-3-propylsulfanylpyrrolidine-2,5-dione
CID 59289440
1-tert-butyl-3-(2,2-dimethylpropylsulfanyl)pyrrolidine-2,5-dione
CID 71127217
1-tert-butyl-3-(methylsulfanylmethylsulfanyl)pyrrolidine-2,5-dione
CID 139436846
1,4-ditert-butylpiperidine-2,6-dione
CID 23591871
1-tert-butyl-3-(2,4-dioxopentan-3-yl)pyrrolidine-2,5-dione
CID 146162760
3-tert-butylsulfanyl-1-(2-methylbutan-2-yl)pyrrolidine-2,5-dione
CID 143369174
4-(3-amino-2,5-dioxopyrrolidin-1-yl)-2-ethyl-2,4-dimethylpentanal
CID 166829329
3-hexyl-1-(2,4,4-trimethyl-5-oxohexan-2-yl)pyrrolidine-2,5-dione
CID 134506977
3-(1-tert-butyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-N-methylpropanamide
CID 171560856
1-tert-butyl-4-ethylpiperazine-2,6-dione
CID 59551373
3-(3-amino-2,5-dioxopyrrolidin-1-yl)-3-methylbutanal
CID 138531855
3-(2,2-dimethylbutyl)-2-methylimidazolidin-4-one
CID 103466780

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2,2-dimethylbutyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-tert-butyl-3-(2,2-dimethylbutyl)pyrrolidine-2,5-dione (CID 170254853) is 1-tert-butyl-3-(2,2-dimethylbutyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-tert-butyl-3-(2,2-dimethylbutyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-tert-butyl-3-(2,2-dimethylbutyl)pyrrolidine-2,5-dione is CCC(C)(C)CC1CC(=O)N(C(C)(C)C)C1=O.
What is the InChIKey of 1-tert-butyl-3-(2,2-dimethylbutyl)pyrrolidine-2,5-dione?
The InChIKey is SBFPDJLKOBKBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-7-14(5,6)9-10-8-11(16)15(12(10)17)13(2,3)4/h10H,7-9H2,1-6H3.
What are the key properties of 1-tert-butyl-3-(2,2-dimethylbutyl)pyrrolidine-2,5-dione?
1-tert-butyl-3-(2,2-dimethylbutyl)pyrrolidine-2,5-dione has a molecular weight of 239.36 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2,2-dimethylbutyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 170254853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).