1-[2-(2,5-dioxopyrrolidin-1-yl)butan-2-yl]piperidine-2,6-dione

C13H18N2O4 — CID 138667500

IUPAC1-[2-(2,5-dioxopyrrolidin-1-yl)butan-2-yl]piperidine-2,6-dione
SMILESCCC(C)(N1C(=O)CCCC1=O)N1C(=O)CCC1=O
InChIInChI=1S/C13H18N2O4/c1-3-13(2,15-11(18)7-8-12(15)19)14-9(16)5-4-6-10(14)17/h3-8H2,1-2H3
InChIKeyHJQOKJJWWQQXOC-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.80
Rot. Bonds3

About 1-[2-(2,5-dioxopyrrolidin-1-yl)butan-2-yl]piperidine-2,6-dione

1-[2-(2,5-dioxopyrrolidin-1-yl)butan-2-yl]piperidine-2,6-dione (PubChem CID 138667500) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[2-(2,5-dioxopyrrolidin-1-yl)butan-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-(2,5-dioxopyrrolidin-1-yl)butan-2-yl]piperidine-2,6-dione
PubChem CID138667500
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name1-[2-(2,5-dioxopyrrolidin-1-yl)butan-2-yl]piperidine-2,6-dione
SMILESCCC(C)(N1C(=O)CCCC1=O)N1C(=O)CCC1=O
InChIInChI=1S/C13H18N2O4/c1-3-13(2,15-11(18)7-8-12(15)19)14-9(16)5-4-6-10(14)17/h3-8H2,1-2H3
InChIKeyHJQOKJJWWQQXOC-UHFFFAOYSA-N
XLogP0.80
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dioxopiperidin-1-yl)-2-methylbutanethioamide
CID 61123321
1-(1-hydroxy-2-methylbutan-2-yl)azepane-2,7-dione
CID 64558404
1-(3-methylhexan-3-yl)pyrrolidine-2,5-dione
CID 134199523
1-(1-hydroxy-2-methylbutan-2-yl)pyrrolidine-2,5-dione
CID 64558407
1-[2-(2,5-dioxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2,5-dione
CID 58388473
1-(1-amino-2-methylpropan-2-yl)azepane-2,7-dione
CID 63194643
2-(2,5-dioxopyrrolidin-1-yl)-2-methylbutanethioamide
CID 61123128
2-(2,5-dioxopyrrolidin-1-yl)-2-ethylbutanoic acid
CID 78969508
3-(2,7-dioxoazepan-1-yl)-3-methylbutanoic acid
CID 64700178
1-undecylpiperidine-2,6-dione
CID 91705281
1-(1,1-difluoropropyl)pyrrolidin-2-one
CID 174968097
1-pentan-2-ylpiperidine-2,6-dione
CID 130638251

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dioxopyrrolidin-1-yl)butan-2-yl]piperidine-2,6-dione?
The IUPAC name of 1-[2-(2,5-dioxopyrrolidin-1-yl)butan-2-yl]piperidine-2,6-dione (CID 138667500) is 1-[2-(2,5-dioxopyrrolidin-1-yl)butan-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 1-[2-(2,5-dioxopyrrolidin-1-yl)butan-2-yl]piperidine-2,6-dione?
The canonical SMILES for 1-[2-(2,5-dioxopyrrolidin-1-yl)butan-2-yl]piperidine-2,6-dione is CCC(C)(N1C(=O)CCCC1=O)N1C(=O)CCC1=O.
What is the InChIKey of 1-[2-(2,5-dioxopyrrolidin-1-yl)butan-2-yl]piperidine-2,6-dione?
The InChIKey is HJQOKJJWWQQXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-13(2,15-11(18)7-8-12(15)19)14-9(16)5-4-6-10(14)17/h3-8H2,1-2H3.
What are the key properties of 1-[2-(2,5-dioxopyrrolidin-1-yl)butan-2-yl]piperidine-2,6-dione?
1-[2-(2,5-dioxopyrrolidin-1-yl)butan-2-yl]piperidine-2,6-dione has a molecular weight of 266.30 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dioxopyrrolidin-1-yl)butan-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 138667500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).