3-[2-(cyclohexen-1-yl)ethylamino]-1-cyclopentylpyrrolidine-2,5-dione

C17H26N2O2 — CID 107851922

IUPAC3-[2-(cyclohexen-1-yl)ethylamino]-1-cyclopentylpyrrolidine-2,5-dione
SMILESO=C1CC(NCCC2=CCCCC2)C(=O)N1C1CCCC1
InChIInChI=1S/C17H26N2O2/c20-16-12-15(17(21)19(16)14-8-4-5-9-14)18-11-10-13-6-2-1-3-7-13/h6,14-15,18H,1-5,7-12H2
InChIKeyLIYBEILQZUPXSX-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.54
Rot. Bonds5

About 3-[2-(cyclohexen-1-yl)ethylamino]-1-cyclopentylpyrrolidine-2,5-dione

3-[2-(cyclohexen-1-yl)ethylamino]-1-cyclopentylpyrrolidine-2,5-dione (PubChem CID 107851922) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[2-(cyclohexen-1-yl)ethylamino]-1-cyclopentylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-(cyclohexen-1-yl)ethylamino]-1-cyclopentylpyrrolidine-2,5-dione
PubChem CID107851922
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[2-(cyclohexen-1-yl)ethylamino]-1-cyclopentylpyrrolidine-2,5-dione
SMILESO=C1CC(NCCC2=CCCCC2)C(=O)N1C1CCCC1
InChIInChI=1S/C17H26N2O2/c20-16-12-15(17(21)19(16)14-8-4-5-9-14)18-11-10-13-6-2-1-3-7-13/h6,14-15,18H,1-5,7-12H2
InChIKeyLIYBEILQZUPXSX-UHFFFAOYSA-N
XLogP2.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrrolidine-2,5-dione
CID 106173594
1-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-2,5-dione
CID 63242031
1-cyclopentyl-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione
CID 43637482
3-(butylamino)-1-cycloheptylpyrrolidine-2,5-dione
CID 43637456
1-cyclopentyl-3-(pentylamino)pyrrolidine-2,5-dione
CID 43637430
1-cyclopentyl-3-(octylamino)pyrrolidine-2,5-dione
CID 115567309
1-cyclopentyl-3-[2-(diethylamino)ethylamino]pyrrolidine-2,5-dione
CID 43637333
1-cyclohexyl-3-(cyclopropylmethylamino)pyrrolidine-2,5-dione
CID 43637329
1-cyclohexyl-3-(hex-5-ynylamino)pyrrolidine-2,5-dione
CID 106211201
1-cyclopentyl-3-(2-propan-2-yloxyethylamino)pyrrolidine-2,5-dione
CID 104759895
1-cycloheptyl-3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione
CID 61166039
3-[2-(5-chlorothiophen-2-yl)ethylamino]-1-cyclopropylpyrrolidine-2,5-dione
CID 106044348

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexen-1-yl)ethylamino]-1-cyclopentylpyrrolidine-2,5-dione?
The IUPAC name of 3-[2-(cyclohexen-1-yl)ethylamino]-1-cyclopentylpyrrolidine-2,5-dione (CID 107851922) is 3-[2-(cyclohexen-1-yl)ethylamino]-1-cyclopentylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-(cyclohexen-1-yl)ethylamino]-1-cyclopentylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-(cyclohexen-1-yl)ethylamino]-1-cyclopentylpyrrolidine-2,5-dione is O=C1CC(NCCC2=CCCCC2)C(=O)N1C1CCCC1.
What is the InChIKey of 3-[2-(cyclohexen-1-yl)ethylamino]-1-cyclopentylpyrrolidine-2,5-dione?
The InChIKey is LIYBEILQZUPXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c20-16-12-15(17(21)19(16)14-8-4-5-9-14)18-11-10-13-6-2-1-3-7-13/h6,14-15,18H,1-5,7-12H2.
What are the key properties of 3-[2-(cyclohexen-1-yl)ethylamino]-1-cyclopentylpyrrolidine-2,5-dione?
3-[2-(cyclohexen-1-yl)ethylamino]-1-cyclopentylpyrrolidine-2,5-dione has a molecular weight of 290.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexen-1-yl)ethylamino]-1-cyclopentylpyrrolidine-2,5-dione is sourced from PubChem (CID 107851922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).