1-(4-cyclohexylbut-3-ynyl)pyrrolidine-2,5-dione

C14H19NO2 — CID 67749591

IUPAC1-(4-cyclohexylbut-3-ynyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCC#CC1CCCCC1
InChIInChI=1S/C14H19NO2/c16-13-9-10-14(17)15(13)11-5-4-8-12-6-2-1-3-7-12/h12H,1-3,5-7,9-11H2
InChIKeyCPPZOWYUTSXXET-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.11
Rot. Bonds2

About 1-(4-cyclohexylbut-3-ynyl)pyrrolidine-2,5-dione

1-(4-cyclohexylbut-3-ynyl)pyrrolidine-2,5-dione (PubChem CID 67749591) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(4-cyclohexylbut-3-ynyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-cyclohexylbut-3-ynyl)pyrrolidine-2,5-dione
PubChem CID67749591
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(4-cyclohexylbut-3-ynyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCC#CC1CCCCC1
InChIInChI=1S/C14H19NO2/c16-13-9-10-14(17)15(13)11-5-4-8-12-6-2-1-3-7-12/h12H,1-3,5-7,9-11H2
InChIKeyCPPZOWYUTSXXET-UHFFFAOYSA-N
XLogP2.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-(4-cyclohexylbut-3-ynyl)pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylbut-3-ynyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-cyclohexylbut-3-ynyl)pyrrolidine-2,5-dione (CID 67749591) is 1-(4-cyclohexylbut-3-ynyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-cyclohexylbut-3-ynyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-cyclohexylbut-3-ynyl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCC#CC1CCCCC1.
What is the InChIKey of 1-(4-cyclohexylbut-3-ynyl)pyrrolidine-2,5-dione?
The InChIKey is CPPZOWYUTSXXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c16-13-9-10-14(17)15(13)11-5-4-8-12-6-2-1-3-7-12/h12H,1-3,5-7,9-11H2.
What are the key properties of 1-(4-cyclohexylbut-3-ynyl)pyrrolidine-2,5-dione?
1-(4-cyclohexylbut-3-ynyl)pyrrolidine-2,5-dione has a molecular weight of 233.31 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylbut-3-ynyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 67749591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).