1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2,5-dione

C9H11N3O2 — CID 726452

IUPAC1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCc1cnc[nH]1
InChIInChI=1S/C9H11N3O2/c13-8-1-2-9(14)12(8)4-3-7-5-10-6-11-7/h5-6H,1-4H2,(H,10,11)
InChIKeyJBNMZWMPILCIDZ-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.10
Rot. Bonds3

About 1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2,5-dione

1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2,5-dione (PubChem CID 726452) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2,5-dione
PubChem CID726452
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCc1cnc[nH]1
InChIInChI=1S/C9H11N3O2/c13-8-1-2-9(14)12(8)4-3-7-5-10-6-11-7/h5-6H,1-4H2,(H,10,11)
InChIKeyJBNMZWMPILCIDZ-UHFFFAOYSA-N
XLogP0.10
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2,5-dione (CID 726452) is 1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCc1cnc[nH]1.
What is the InChIKey of 1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2,5-dione?
The InChIKey is JBNMZWMPILCIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-8-1-2-9(14)12(8)4-3-7-5-10-6-11-7/h5-6H,1-4H2,(H,10,11).
What are the key properties of 1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2,5-dione?
1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2,5-dione has a molecular weight of 193.21 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 726452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).