3,3-dimethyl-1-(4-oxopentyl)pyrrolidine-2,5-dione

C11H17NO3 — CID 65301376

IUPAC3,3-dimethyl-1-(4-oxopentyl)pyrrolidine-2,5-dione
SMILESCC(=O)CCCN1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C11H17NO3/c1-8(13)5-4-6-12-9(14)7-11(2,3)10(12)15/h4-7H2,1-3H3
InChIKeyPUZVDGIYYRIGEN-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.14
Rot. Bonds4

About 3,3-dimethyl-1-(4-oxopentyl)pyrrolidine-2,5-dione

3,3-dimethyl-1-(4-oxopentyl)pyrrolidine-2,5-dione (PubChem CID 65301376) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3,3-dimethyl-1-(4-oxopentyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-(4-oxopentyl)pyrrolidine-2,5-dione
PubChem CID65301376
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3,3-dimethyl-1-(4-oxopentyl)pyrrolidine-2,5-dione
SMILESCC(=O)CCCN1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C11H17NO3/c1-8(13)5-4-6-12-9(14)7-11(2,3)10(12)15/h4-7H2,1-3H3
InChIKeyPUZVDGIYYRIGEN-UHFFFAOYSA-N
XLogP1.14
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(4-oxopentyl)pyrrolidine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-(4-oxopentyl)pyrrolidine-2,5-dione (CID 65301376) is 3,3-dimethyl-1-(4-oxopentyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-(4-oxopentyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-(4-oxopentyl)pyrrolidine-2,5-dione is CC(=O)CCCN1C(=O)CC(C)(C)C1=O.
What is the InChIKey of 3,3-dimethyl-1-(4-oxopentyl)pyrrolidine-2,5-dione?
The InChIKey is PUZVDGIYYRIGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-8(13)5-4-6-12-9(14)7-11(2,3)10(12)15/h4-7H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(4-oxopentyl)pyrrolidine-2,5-dione?
3,3-dimethyl-1-(4-oxopentyl)pyrrolidine-2,5-dione has a molecular weight of 211.26 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(4-oxopentyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 65301376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).