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

C11H16N4O2 — CID 64532404

IUPAC3-(1H-imidazol-2-ylmethylamino)-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(NCc2ncc[nH]2)C1=O
InChIInChI=1S/C11H16N4O2/c1-2-5-15-10(16)6-8(11(15)17)14-7-9-12-3-4-13-9/h3-4,8,14H,2,5-7H2,1H3,(H,12,13)
InChIKeyHQJYVOQDIDELBC-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.04
Rot. Bonds5

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

3-(1H-imidazol-2-ylmethylamino)-1-propylpyrrolidine-2,5-dione (PubChem CID 64532404) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-(1H-imidazol-2-ylmethylamino)-1-propylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(1H-imidazol-2-ylmethylamino)-1-propylpyrrolidine-2,5-dione
PubChem CID64532404
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name3-(1H-imidazol-2-ylmethylamino)-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(NCc2ncc[nH]2)C1=O
InChIInChI=1S/C11H16N4O2/c1-2-5-15-10(16)6-8(11(15)17)14-7-9-12-3-4-13-9/h3-4,8,14H,2,5-7H2,1H3,(H,12,13)
InChIKeyHQJYVOQDIDELBC-UHFFFAOYSA-N
XLogP0.04
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.04
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-propylpyrrolidine-2,5-dione?
The IUPAC name of 3-(1H-imidazol-2-ylmethylamino)-1-propylpyrrolidine-2,5-dione (CID 64532404) is 3-(1H-imidazol-2-ylmethylamino)-1-propylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(1H-imidazol-2-ylmethylamino)-1-propylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(1H-imidazol-2-ylmethylamino)-1-propylpyrrolidine-2,5-dione is CCCN1C(=O)CC(NCc2ncc[nH]2)C1=O.
What is the InChIKey of 3-(1H-imidazol-2-ylmethylamino)-1-propylpyrrolidine-2,5-dione?
The InChIKey is HQJYVOQDIDELBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-2-5-15-10(16)6-8(11(15)17)14-7-9-12-3-4-13-9/h3-4,8,14H,2,5-7H2,1H3,(H,12,13).
What are the key properties of 3-(1H-imidazol-2-ylmethylamino)-1-propylpyrrolidine-2,5-dione?
3-(1H-imidazol-2-ylmethylamino)-1-propylpyrrolidine-2,5-dione has a molecular weight of 236.27 g/mol, XLogP of 0.04, 5 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-propylpyrrolidine-2,5-dione is sourced from PubChem (CID 64532404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).