1-cyclopentyl-3-(oxan-4-ylamino)pyrrolidine-2,5-dione

C14H22N2O3 — CID 43637657

IUPAC1-cyclopentyl-3-(oxan-4-ylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NC2CCOCC2)C(=O)N1C1CCCC1
InChIInChI=1S/C14H22N2O3/c17-13-9-12(15-10-5-7-19-8-6-10)14(18)16(13)11-3-1-2-4-11/h10-12,15H,1-9H2
InChIKeyYCVQMJRSRNBFAW-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.83
Rot. Bonds3

About 1-cyclopentyl-3-(oxan-4-ylamino)pyrrolidine-2,5-dione

1-cyclopentyl-3-(oxan-4-ylamino)pyrrolidine-2,5-dione (PubChem CID 43637657) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-cyclopentyl-3-(oxan-4-ylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopentyl-3-(oxan-4-ylamino)pyrrolidine-2,5-dione
PubChem CID43637657
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-cyclopentyl-3-(oxan-4-ylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NC2CCOCC2)C(=O)N1C1CCCC1
InChIInChI=1S/C14H22N2O3/c17-13-9-12(15-10-5-7-19-8-6-10)14(18)16(13)11-3-1-2-4-11/h10-12,15H,1-9H2
InChIKeyYCVQMJRSRNBFAW-UHFFFAOYSA-N
XLogP0.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(oxan-4-ylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopentyl-3-(oxan-4-ylamino)pyrrolidine-2,5-dione (CID 43637657) is 1-cyclopentyl-3-(oxan-4-ylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopentyl-3-(oxan-4-ylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopentyl-3-(oxan-4-ylamino)pyrrolidine-2,5-dione is O=C1CC(NC2CCOCC2)C(=O)N1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(oxan-4-ylamino)pyrrolidine-2,5-dione?
The InChIKey is YCVQMJRSRNBFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c17-13-9-12(15-10-5-7-19-8-6-10)14(18)16(13)11-3-1-2-4-11/h10-12,15H,1-9H2.
What are the key properties of 1-cyclopentyl-3-(oxan-4-ylamino)pyrrolidine-2,5-dione?
1-cyclopentyl-3-(oxan-4-ylamino)pyrrolidine-2,5-dione has a molecular weight of 266.34 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(oxan-4-ylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43637657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).