3-(2-imidazol-1-ylethylamino)-1-methylpyrrolidine-2,5-dione

C10H14N4O2 — CID 61326141

IUPAC3-(2-imidazol-1-ylethylamino)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(NCCn2ccnc2)C1=O
InChIInChI=1S/C10H14N4O2/c1-13-9(15)6-8(10(13)16)12-3-5-14-4-2-11-7-14/h2,4,7-8,12H,3,5-6H2,1H3
InChIKeyJRUCGAXNHYFUEZ-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.77
Rot. Bonds4

About 3-(2-imidazol-1-ylethylamino)-1-methylpyrrolidine-2,5-dione

3-(2-imidazol-1-ylethylamino)-1-methylpyrrolidine-2,5-dione (PubChem CID 61326141) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-(2-imidazol-1-ylethylamino)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-imidazol-1-ylethylamino)-1-methylpyrrolidine-2,5-dione
PubChem CID61326141
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name3-(2-imidazol-1-ylethylamino)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(NCCn2ccnc2)C1=O
InChIInChI=1S/C10H14N4O2/c1-13-9(15)6-8(10(13)16)12-3-5-14-4-2-11-7-14/h2,4,7-8,12H,3,5-6H2,1H3
InChIKeyJRUCGAXNHYFUEZ-UHFFFAOYSA-N
XLogP-0.77
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-imidazol-1-ylethylamino)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2-imidazol-1-ylethylamino)-1-methylpyrrolidine-2,5-dione (CID 61326141) is 3-(2-imidazol-1-ylethylamino)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-imidazol-1-ylethylamino)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-imidazol-1-ylethylamino)-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(NCCn2ccnc2)C1=O.
What is the InChIKey of 3-(2-imidazol-1-ylethylamino)-1-methylpyrrolidine-2,5-dione?
The InChIKey is JRUCGAXNHYFUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-13-9(15)6-8(10(13)16)12-3-5-14-4-2-11-7-14/h2,4,7-8,12H,3,5-6H2,1H3.
What are the key properties of 3-(2-imidazol-1-ylethylamino)-1-methylpyrrolidine-2,5-dione?
3-(2-imidazol-1-ylethylamino)-1-methylpyrrolidine-2,5-dione has a molecular weight of 222.25 g/mol, XLogP of -0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-imidazol-1-ylethylamino)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 61326141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).