1-cyclopentyl-3-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione

C14H20N4O2 — CID 65231833

IUPAC1-cyclopentyl-3-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione
SMILESO=C1CC(NCCc2cnc[nH]2)C(=O)N1C1CCCC1
InChIInChI=1S/C14H20N4O2/c19-13-7-12(16-6-5-10-8-15-9-17-10)14(20)18(13)11-3-1-2-4-11/h8-9,11-12,16H,1-7H2,(H,15,17)
InChIKeyDEBWDZJTPCTWKB-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.61
Rot. Bonds5

About 1-cyclopentyl-3-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione

1-cyclopentyl-3-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione (PubChem CID 65231833) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione
PubChem CID65231833
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-cyclopentyl-3-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione
SMILESO=C1CC(NCCc2cnc[nH]2)C(=O)N1C1CCCC1
InChIInChI=1S/C14H20N4O2/c19-13-7-12(16-6-5-10-8-15-9-17-10)14(20)18(13)11-3-1-2-4-11/h8-9,11-12,16H,1-7H2,(H,15,17)
InChIKeyDEBWDZJTPCTWKB-UHFFFAOYSA-N
XLogP0.61
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.61
H-Bond Donors ≤ 52
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-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopentyl-3-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione (CID 65231833) is 1-cyclopentyl-3-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopentyl-3-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopentyl-3-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione is O=C1CC(NCCc2cnc[nH]2)C(=O)N1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione?
The InChIKey is DEBWDZJTPCTWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c19-13-7-12(16-6-5-10-8-15-9-17-10)14(20)18(13)11-3-1-2-4-11/h8-9,11-12,16H,1-7H2,(H,15,17).
What are the key properties of 1-cyclopentyl-3-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione?
1-cyclopentyl-3-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione has a molecular weight of 276.34 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 65231833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).