1-(4,4-dimethylpentyl)-3-propan-2-ylpyrrolidine-2,5-dione

C14H25NO2 — CID 58114248

IUPAC1-(4,4-dimethylpentyl)-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1CC(=O)N(CCCC(C)(C)C)C1=O
InChIInChI=1S/C14H25NO2/c1-10(2)11-9-12(16)15(13(11)17)8-6-7-14(3,4)5/h10-11H,6-9H2,1-5H3
InChIKeyDIVFESCVCWCYMI-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.84
Rot. Bonds4

About 1-(4,4-dimethylpentyl)-3-propan-2-ylpyrrolidine-2,5-dione

1-(4,4-dimethylpentyl)-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 58114248) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(4,4-dimethylpentyl)-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4,4-dimethylpentyl)-3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID58114248
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-(4,4-dimethylpentyl)-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1CC(=O)N(CCCC(C)(C)C)C1=O
InChIInChI=1S/C14H25NO2/c1-10(2)11-9-12(16)15(13(11)17)8-6-7-14(3,4)5/h10-11H,6-9H2,1-5H3
InChIKeyDIVFESCVCWCYMI-UHFFFAOYSA-N
XLogP2.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.84
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 1-(4,4-dimethylpentyl)-3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-(4,4-dimethylpentyl)-3-propan-2-ylpyrrolidine-2,5-dione (CID 58114248) is 1-(4,4-dimethylpentyl)-3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4,4-dimethylpentyl)-3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(4,4-dimethylpentyl)-3-propan-2-ylpyrrolidine-2,5-dione is CC(C)C1CC(=O)N(CCCC(C)(C)C)C1=O.
What is the InChIKey of 1-(4,4-dimethylpentyl)-3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is DIVFESCVCWCYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-10(2)11-9-12(16)15(13(11)17)8-6-7-14(3,4)5/h10-11H,6-9H2,1-5H3.
What are the key properties of 1-(4,4-dimethylpentyl)-3-propan-2-ylpyrrolidine-2,5-dione?
1-(4,4-dimethylpentyl)-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 239.36 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpentyl)-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 58114248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).