5-ethyliminoimidazol-2-one

C5H7N3O — CID 171475570

IUPAC5-ethyliminoimidazol-2-one
SMILESCC/N=C1\C=NC(=O)N1
InChIInChI=1S/C5H7N3O/c1-2-6-4-3-7-5(9)8-4/h3H,2H2,1H3,(H,6,8,9)
InChIKeyPJVDBLGXUSEFMY-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.20
Rot. Bonds1

About 5-ethyliminoimidazol-2-one

5-ethyliminoimidazol-2-one (PubChem CID 171475570) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 5-ethyliminoimidazol-2-one.

Molecular Properties

Compound Name5-ethyliminoimidazol-2-one
PubChem CID171475570
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name5-ethyliminoimidazol-2-one
SMILESCC/N=C1\C=NC(=O)N1
InChIInChI=1S/C5H7N3O/c1-2-6-4-3-7-5(9)8-4/h3H,2H2,1H3,(H,6,8,9)
InChIKeyPJVDBLGXUSEFMY-UHFFFAOYSA-N
XLogP0.20
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyliminoimidazol-2-one?
The IUPAC name of 5-ethyliminoimidazol-2-one (CID 171475570) is 5-ethyliminoimidazol-2-one.
What is the SMILES notation for 5-ethyliminoimidazol-2-one?
The canonical SMILES for 5-ethyliminoimidazol-2-one is CC/N=C1\C=NC(=O)N1.
What is the InChIKey of 5-ethyliminoimidazol-2-one?
The InChIKey is PJVDBLGXUSEFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c1-2-6-4-3-7-5(9)8-4/h3H,2H2,1H3,(H,6,8,9).
What are the key properties of 5-ethyliminoimidazol-2-one?
5-ethyliminoimidazol-2-one has a molecular weight of 125.13 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyliminoimidazol-2-one is sourced from PubChem (CID 171475570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).