1-cyclopentyl-3-(octylamino)pyrrolidine-2,5-dione

C17H30N2O2 — CID 115567309

IUPAC1-cyclopentyl-3-(octylamino)pyrrolidine-2,5-dione
SMILESCCCCCCCCNC1CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C17H30N2O2/c1-2-3-4-5-6-9-12-18-15-13-16(20)19(17(15)21)14-10-7-8-11-14/h14-15,18H,2-13H2,1H3
InChIKeyDUFMYZYKYAFMCY-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.01
Rot. Bonds9

About 1-cyclopentyl-3-(octylamino)pyrrolidine-2,5-dione

1-cyclopentyl-3-(octylamino)pyrrolidine-2,5-dione (PubChem CID 115567309) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-cyclopentyl-3-(octylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopentyl-3-(octylamino)pyrrolidine-2,5-dione
PubChem CID115567309
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-cyclopentyl-3-(octylamino)pyrrolidine-2,5-dione
SMILESCCCCCCCCNC1CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C17H30N2O2/c1-2-3-4-5-6-9-12-18-15-13-16(20)19(17(15)21)14-10-7-8-11-14/h14-15,18H,2-13H2,1H3
InChIKeyDUFMYZYKYAFMCY-UHFFFAOYSA-N
XLogP3.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-cyclopentyl-3-(octylamino)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

Related Compounds

1-cyclopentyl-3-(pentylamino)pyrrolidine-2,5-dione
CID 43637430
3-(butylamino)-1-cycloheptylpyrrolidine-2,5-dione
CID 43637456
1-cyclohexyl-3-(hex-5-ynylamino)pyrrolidine-2,5-dione
CID 106211201
1-cyclopentyl-3-[2-(diethylamino)ethylamino]pyrrolidine-2,5-dione
CID 43637333
1-cyclohexyl-3-[2-[ethyl(methyl)amino]ethylamino]pyrrolidine-2,5-dione
CID 62635609
1-cyclopentyl-3-(hexan-2-ylamino)pyrrolidine-2,5-dione
CID 62198551
1-cyclopentyl-3-(2-propan-2-yloxyethylamino)pyrrolidine-2,5-dione
CID 104759895
1-octyl-3-(octylamino)pyrrolidine-2,5-dione
CID 512833
1-cyclopropyl-3-(5,5,5-trifluoropentylamino)pyrrolidine-2,5-dione
CID 115517814
1-cyclopentyl-3-(octan-4-ylamino)pyrrolidine-2,5-dione
CID 106024203
1-cyclopropyl-3-[2-(diethylamino)ethylamino]pyrrolidine-2,5-dione
CID 43636147
1-cycloheptyl-3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione
CID 61166039

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(octylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopentyl-3-(octylamino)pyrrolidine-2,5-dione (CID 115567309) is 1-cyclopentyl-3-(octylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopentyl-3-(octylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopentyl-3-(octylamino)pyrrolidine-2,5-dione is CCCCCCCCNC1CC(=O)N(C2CCCC2)C1=O.
What is the InChIKey of 1-cyclopentyl-3-(octylamino)pyrrolidine-2,5-dione?
The InChIKey is DUFMYZYKYAFMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-2-3-4-5-6-9-12-18-15-13-16(20)19(17(15)21)14-10-7-8-11-14/h14-15,18H,2-13H2,1H3.
What are the key properties of 1-cyclopentyl-3-(octylamino)pyrrolidine-2,5-dione?
1-cyclopentyl-3-(octylamino)pyrrolidine-2,5-dione has a molecular weight of 294.44 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(octylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 115567309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).