1-butan-2-yl-3-[(1-methylcyclopentyl)amino]pyrrolidine-2,5-dione

C14H24N2O2 — CID 61366170

IUPAC1-butan-2-yl-3-[(1-methylcyclopentyl)amino]pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(NC2(C)CCCC2)C1=O
InChIInChI=1S/C14H24N2O2/c1-4-10(2)16-12(17)9-11(13(16)18)15-14(3)7-5-6-8-14/h10-11,15H,4-9H2,1-3H3
InChIKeyABEKUGMLXBHEDT-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.83
Rot. Bonds4

About 1-butan-2-yl-3-[(1-methylcyclopentyl)amino]pyrrolidine-2,5-dione

1-butan-2-yl-3-[(1-methylcyclopentyl)amino]pyrrolidine-2,5-dione (PubChem CID 61366170) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-butan-2-yl-3-[(1-methylcyclopentyl)amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-butan-2-yl-3-[(1-methylcyclopentyl)amino]pyrrolidine-2,5-dione
PubChem CID61366170
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-butan-2-yl-3-[(1-methylcyclopentyl)amino]pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(NC2(C)CCCC2)C1=O
InChIInChI=1S/C14H24N2O2/c1-4-10(2)16-12(17)9-11(13(16)18)15-14(3)7-5-6-8-14/h10-11,15H,4-9H2,1-3H3
InChIKeyABEKUGMLXBHEDT-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-butan-2-yl-3-[(1-methylcyclopentyl)amino]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-butan-2-yl-3-[(1-methylcyclopentyl)amino]pyrrolidine-2,5-dione?
The IUPAC name of 1-butan-2-yl-3-[(1-methylcyclopentyl)amino]pyrrolidine-2,5-dione (CID 61366170) is 1-butan-2-yl-3-[(1-methylcyclopentyl)amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-butan-2-yl-3-[(1-methylcyclopentyl)amino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-butan-2-yl-3-[(1-methylcyclopentyl)amino]pyrrolidine-2,5-dione is CCC(C)N1C(=O)CC(NC2(C)CCCC2)C1=O.
What is the InChIKey of 1-butan-2-yl-3-[(1-methylcyclopentyl)amino]pyrrolidine-2,5-dione?
The InChIKey is ABEKUGMLXBHEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-10(2)16-12(17)9-11(13(16)18)15-14(3)7-5-6-8-14/h10-11,15H,4-9H2,1-3H3.
What are the key properties of 1-butan-2-yl-3-[(1-methylcyclopentyl)amino]pyrrolidine-2,5-dione?
1-butan-2-yl-3-[(1-methylcyclopentyl)amino]pyrrolidine-2,5-dione has a molecular weight of 252.36 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[(1-methylcyclopentyl)amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 61366170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).