3-tert-butyl-1-(4,4-dimethylpentyl)pyrrolidine-2,5-dione

C15H27NO2 — CID 58436756

IUPAC3-tert-butyl-1-(4,4-dimethylpentyl)pyrrolidine-2,5-dione
SMILESCC(C)(C)CCCN1C(=O)CC(C(C)(C)C)C1=O
InChIInChI=1S/C15H27NO2/c1-14(2,3)8-7-9-16-12(17)10-11(13(16)18)15(4,5)6/h11H,7-10H2,1-6H3
InChIKeyQTDAUMIJGMBMRP-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.23
Rot. Bonds3

About 3-tert-butyl-1-(4,4-dimethylpentyl)pyrrolidine-2,5-dione

3-tert-butyl-1-(4,4-dimethylpentyl)pyrrolidine-2,5-dione (PubChem CID 58436756) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-tert-butyl-1-(4,4-dimethylpentyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-1-(4,4-dimethylpentyl)pyrrolidine-2,5-dione
PubChem CID58436756
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name3-tert-butyl-1-(4,4-dimethylpentyl)pyrrolidine-2,5-dione
SMILESCC(C)(C)CCCN1C(=O)CC(C(C)(C)C)C1=O
InChIInChI=1S/C15H27NO2/c1-14(2,3)8-7-9-16-12(17)10-11(13(16)18)15(4,5)6/h11H,7-10H2,1-6H3
InChIKeyQTDAUMIJGMBMRP-UHFFFAOYSA-N
XLogP3.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-tert-butyl-1-(4,4-dimethylpentyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-tert-butyl-1-(4,4-dimethylpentyl)pyrrolidine-2,5-dione (CID 58436756) is 3-tert-butyl-1-(4,4-dimethylpentyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-1-(4,4-dimethylpentyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-tert-butyl-1-(4,4-dimethylpentyl)pyrrolidine-2,5-dione is CC(C)(C)CCCN1C(=O)CC(C(C)(C)C)C1=O.
What is the InChIKey of 3-tert-butyl-1-(4,4-dimethylpentyl)pyrrolidine-2,5-dione?
The InChIKey is QTDAUMIJGMBMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-14(2,3)8-7-9-16-12(17)10-11(13(16)18)15(4,5)6/h11H,7-10H2,1-6H3.
What are the key properties of 3-tert-butyl-1-(4,4-dimethylpentyl)pyrrolidine-2,5-dione?
3-tert-butyl-1-(4,4-dimethylpentyl)pyrrolidine-2,5-dione has a molecular weight of 253.39 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(4,4-dimethylpentyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 58436756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).