1-cyclopentyl-3-(hexan-2-ylamino)pyrrolidine-2,5-dione

C15H26N2O2 — CID 62198551

IUPAC1-cyclopentyl-3-(hexan-2-ylamino)pyrrolidine-2,5-dione
SMILESCCCCC(C)NC1CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C15H26N2O2/c1-3-4-7-11(2)16-13-10-14(18)17(15(13)19)12-8-5-6-9-12/h11-13,16H,3-10H2,1-2H3
InChIKeyROTKLAZVDSKPCF-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.22
Rot. Bonds6

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

1-cyclopentyl-3-(hexan-2-ylamino)pyrrolidine-2,5-dione (PubChem CID 62198551) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-cyclopentyl-3-(hexan-2-ylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopentyl-3-(hexan-2-ylamino)pyrrolidine-2,5-dione
PubChem CID62198551
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-cyclopentyl-3-(hexan-2-ylamino)pyrrolidine-2,5-dione
SMILESCCCCC(C)NC1CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C15H26N2O2/c1-3-4-7-11(2)16-13-10-14(18)17(15(13)19)12-8-5-6-9-12/h11-13,16H,3-10H2,1-2H3
InChIKeyROTKLAZVDSKPCF-UHFFFAOYSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-cyclopentyl-3-(hexan-2-ylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopentyl-3-(hexan-2-ylamino)pyrrolidine-2,5-dione (CID 62198551) is 1-cyclopentyl-3-(hexan-2-ylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopentyl-3-(hexan-2-ylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopentyl-3-(hexan-2-ylamino)pyrrolidine-2,5-dione is CCCCC(C)NC1CC(=O)N(C2CCCC2)C1=O.
What is the InChIKey of 1-cyclopentyl-3-(hexan-2-ylamino)pyrrolidine-2,5-dione?
The InChIKey is ROTKLAZVDSKPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-3-4-7-11(2)16-13-10-14(18)17(15(13)19)12-8-5-6-9-12/h11-13,16H,3-10H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-(hexan-2-ylamino)pyrrolidine-2,5-dione?
1-cyclopentyl-3-(hexan-2-ylamino)pyrrolidine-2,5-dione has a molecular weight of 266.38 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(hexan-2-ylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 62198551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).