3,3-dimethyl-1-(3-oxopentan-2-yl)pyrrolidine-2,5-dione

C11H17NO3 — CID 65301577

IUPAC3,3-dimethyl-1-(3-oxopentan-2-yl)pyrrolidine-2,5-dione
SMILESCCC(=O)C(C)N1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C11H17NO3/c1-5-8(13)7(2)12-9(14)6-11(3,4)10(12)15/h7H,5-6H2,1-4H3
InChIKeyIYFNQZXXYFLRAH-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.14
Rot. Bonds3

About 3,3-dimethyl-1-(3-oxopentan-2-yl)pyrrolidine-2,5-dione

3,3-dimethyl-1-(3-oxopentan-2-yl)pyrrolidine-2,5-dione (PubChem CID 65301577) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3,3-dimethyl-1-(3-oxopentan-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-(3-oxopentan-2-yl)pyrrolidine-2,5-dione
PubChem CID65301577
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3,3-dimethyl-1-(3-oxopentan-2-yl)pyrrolidine-2,5-dione
SMILESCCC(=O)C(C)N1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C11H17NO3/c1-5-8(13)7(2)12-9(14)6-11(3,4)10(12)15/h7H,5-6H2,1-4H3
InChIKeyIYFNQZXXYFLRAH-UHFFFAOYSA-N
XLogP1.14
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)butanoic acid
CID 65298317
2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-3-hydroxypropanoic acid
CID 66167741
3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)butanethioamide
CID 65298535
1-(2-hydroxypropyl)-3,3-dimethylpyrrolidine-2,5-dione
CID 65298071
2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)pentanethioamide
CID 65298243
1-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3,3-dimethylpyrrolidine-2,5-dione
CID 127038607
2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-5-methoxypentanoic acid
CID 81077867
3,3-dimethyl-1-(2-oxopentyl)pyrrolidine-2,5-dione
CID 65301676
1-(3-oxopentan-2-yl)-3,4-dihydroquinolin-2-one
CID 64865861
3,3-dimethyl-1-[2-(methylamino)propyl]pyrrolidine-2,5-dione
CID 65301272
3,3-dimethyl-1-(2-oxopropyl)pyrrolidine-2,5-dione
CID 65301965
2-[1-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374884

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(3-oxopentan-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-(3-oxopentan-2-yl)pyrrolidine-2,5-dione (CID 65301577) is 3,3-dimethyl-1-(3-oxopentan-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-(3-oxopentan-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-(3-oxopentan-2-yl)pyrrolidine-2,5-dione is CCC(=O)C(C)N1C(=O)CC(C)(C)C1=O.
What is the InChIKey of 3,3-dimethyl-1-(3-oxopentan-2-yl)pyrrolidine-2,5-dione?
The InChIKey is IYFNQZXXYFLRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-5-8(13)7(2)12-9(14)6-11(3,4)10(12)15/h7H,5-6H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(3-oxopentan-2-yl)pyrrolidine-2,5-dione?
3,3-dimethyl-1-(3-oxopentan-2-yl)pyrrolidine-2,5-dione has a molecular weight of 211.26 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(3-oxopentan-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 65301577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).