1-cyclohexyl-3,4-diethylpyrrolidine-2,5-dione

C14H23NO2 — CID 90238281

IUPAC1-cyclohexyl-3,4-diethylpyrrolidine-2,5-dione
SMILESCCC1C(=O)N(C2CCCCC2)C(=O)C1CC
InChIInChI=1S/C14H23NO2/c1-3-11-12(4-2)14(17)15(13(11)16)10-8-6-5-7-9-10/h10-12H,3-9H2,1-2H3
InChIKeyUWFUYSLZHWWIPF-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.74
Rot. Bonds3

About 1-cyclohexyl-3,4-diethylpyrrolidine-2,5-dione

1-cyclohexyl-3,4-diethylpyrrolidine-2,5-dione (PubChem CID 90238281) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-cyclohexyl-3,4-diethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclohexyl-3,4-diethylpyrrolidine-2,5-dione
PubChem CID90238281
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-cyclohexyl-3,4-diethylpyrrolidine-2,5-dione
SMILESCCC1C(=O)N(C2CCCCC2)C(=O)C1CC
InChIInChI=1S/C14H23NO2/c1-3-11-12(4-2)14(17)15(13(11)16)10-8-6-5-7-9-10/h10-12H,3-9H2,1-2H3
InChIKeyUWFUYSLZHWWIPF-UHFFFAOYSA-N
XLogP2.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.74
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-cyclohexyl-3,4-diethylpyrrolidine-2,5-dione?
The IUPAC name of 1-cyclohexyl-3,4-diethylpyrrolidine-2,5-dione (CID 90238281) is 1-cyclohexyl-3,4-diethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclohexyl-3,4-diethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclohexyl-3,4-diethylpyrrolidine-2,5-dione is CCC1C(=O)N(C2CCCCC2)C(=O)C1CC.
What is the InChIKey of 1-cyclohexyl-3,4-diethylpyrrolidine-2,5-dione?
The InChIKey is UWFUYSLZHWWIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-11-12(4-2)14(17)15(13(11)16)10-8-6-5-7-9-10/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-cyclohexyl-3,4-diethylpyrrolidine-2,5-dione?
1-cyclohexyl-3,4-diethylpyrrolidine-2,5-dione has a molecular weight of 237.34 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3,4-diethylpyrrolidine-2,5-dione is sourced from PubChem (CID 90238281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).