3-(1H-imidazol-2-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione

C13H20N4O2 — CID 64529830

IUPAC3-(1H-imidazol-2-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione
SMILESCCC(CC)N1C(=O)CC(NCc2ncc[nH]2)C1=O
InChIInChI=1S/C13H20N4O2/c1-3-9(4-2)17-12(18)7-10(13(17)19)16-8-11-14-5-6-15-11/h5-6,9-10,16H,3-4,7-8H2,1-2H3,(H,14,15)
InChIKeyGHLMEEVHMWOEJE-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.82
Rot. Bonds6

About 3-(1H-imidazol-2-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione

3-(1H-imidazol-2-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione (PubChem CID 64529830) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-(1H-imidazol-2-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(1H-imidazol-2-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione
PubChem CID64529830
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-(1H-imidazol-2-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione
SMILESCCC(CC)N1C(=O)CC(NCc2ncc[nH]2)C1=O
InChIInChI=1S/C13H20N4O2/c1-3-9(4-2)17-12(18)7-10(13(17)19)16-8-11-14-5-6-15-11/h5-6,9-10,16H,3-4,7-8H2,1-2H3,(H,14,15)
InChIKeyGHLMEEVHMWOEJE-UHFFFAOYSA-N
XLogP0.82
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.82
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 3-(1H-imidazol-2-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-(1H-imidazol-2-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione (CID 64529830) is 3-(1H-imidazol-2-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(1H-imidazol-2-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(1H-imidazol-2-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione is CCC(CC)N1C(=O)CC(NCc2ncc[nH]2)C1=O.
What is the InChIKey of 3-(1H-imidazol-2-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione?
The InChIKey is GHLMEEVHMWOEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-9(4-2)17-12(18)7-10(13(17)19)16-8-11-14-5-6-15-11/h5-6,9-10,16H,3-4,7-8H2,1-2H3,(H,14,15).
What are the key properties of 3-(1H-imidazol-2-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione?
3-(1H-imidazol-2-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione has a molecular weight of 264.33 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 64529830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).