3,3-dimethyl-1-[2-(2-oxocyclopentyl)ethyl]pyrrolidine-2,5-dione

C13H19NO3 — CID 79569494

IUPAC3,3-dimethyl-1-[2-(2-oxocyclopentyl)ethyl]pyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(CCC2CCCC2=O)C1=O
InChIInChI=1S/C13H19NO3/c1-13(2)8-11(16)14(12(13)17)7-6-9-4-3-5-10(9)15/h9H,3-8H2,1-2H3
InChIKeyMZDZLNJGOVJVQZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.53
Rot. Bonds3

About 3,3-dimethyl-1-[2-(2-oxocyclopentyl)ethyl]pyrrolidine-2,5-dione

3,3-dimethyl-1-[2-(2-oxocyclopentyl)ethyl]pyrrolidine-2,5-dione (PubChem CID 79569494) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3,3-dimethyl-1-[2-(2-oxocyclopentyl)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-[2-(2-oxocyclopentyl)ethyl]pyrrolidine-2,5-dione
PubChem CID79569494
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3,3-dimethyl-1-[2-(2-oxocyclopentyl)ethyl]pyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(CCC2CCCC2=O)C1=O
InChIInChI=1S/C13H19NO3/c1-13(2)8-11(16)14(12(13)17)7-6-9-4-3-5-10(9)15/h9H,3-8H2,1-2H3
InChIKeyMZDZLNJGOVJVQZ-UHFFFAOYSA-N
XLogP1.53
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.53
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

2-Azaspiro(4.4)nonane-1,3-dione, 2-propyl-
CID 56331
2-Azaspiro(4.4)nonane-1,3-dione, 2-(2-propynyl)-
CID 56404
N,N-diethyl-2-(2-oxocyclopentyl)acetamide
CID 45098891
1-Butyl-3-pentylpyrrolidine-2,5-dione
CID 12028442
1-(4,4-Dimethyl-2-oxocyclopentanecarbonyl)pyrrolidin-2-one
CID 85590408
2-Methyl-2-azaspiro[4.4]nonan-1-one
CID 12509311
1-(5-Fluoro-4,5-dimethyl-6-oxoheptyl)-3-methylpyrrolidine-2,5-dione
CID 139406489
4,4-Dimethyl-2-(pyrrolidine-1-carbonyl)cyclopentan-1-one
CID 85590404
1-(4-Methyl-2-oxocyclopentanecarbonyl)pyrrolidin-2-one
CID 134925451
3-Heptanoyl-1-methylpyrrolidine-2,5-dione
CID 138963368
3-(2-Oxocyclopentyl)-1-propylpyrrolidine-2,5-dione
CID 139259778
3-(2-Oxo-2-pyrrolidin-1-ylethyl)cyclopentan-1-one
CID 164676652

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[2-(2-oxocyclopentyl)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-[2-(2-oxocyclopentyl)ethyl]pyrrolidine-2,5-dione (CID 79569494) is 3,3-dimethyl-1-[2-(2-oxocyclopentyl)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-[2-(2-oxocyclopentyl)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-[2-(2-oxocyclopentyl)ethyl]pyrrolidine-2,5-dione is CC1(C)CC(=O)N(CCC2CCCC2=O)C1=O.
What is the InChIKey of 3,3-dimethyl-1-[2-(2-oxocyclopentyl)ethyl]pyrrolidine-2,5-dione?
The InChIKey is MZDZLNJGOVJVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2)8-11(16)14(12(13)17)7-6-9-4-3-5-10(9)15/h9H,3-8H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-[2-(2-oxocyclopentyl)ethyl]pyrrolidine-2,5-dione?
3,3-dimethyl-1-[2-(2-oxocyclopentyl)ethyl]pyrrolidine-2,5-dione has a molecular weight of 237.30 g/mol, XLogP of 1.53, 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-[2-(2-oxocyclopentyl)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 79569494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).