4-ethyliminoimidazolidin-2-one

C5H9N3O — CID 140604957

IUPAC4-ethyliminoimidazolidin-2-one
SMILESCC/N=C1\CNC(=O)N1
InChIInChI=1S/C5H9N3O/c1-2-6-4-3-7-5(9)8-4/h2-3H2,1H3,(H2,6,7,8,9)
InChIKeyLMAIIJPWLCKLQD-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.28
Rot. Bonds1

About 4-ethyliminoimidazolidin-2-one

4-ethyliminoimidazolidin-2-one (PubChem CID 140604957) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 4-ethyliminoimidazolidin-2-one.

Molecular Properties

Compound Name4-ethyliminoimidazolidin-2-one
PubChem CID140604957
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name4-ethyliminoimidazolidin-2-one
SMILESCC/N=C1\CNC(=O)N1
InChIInChI=1S/C5H9N3O/c1-2-6-4-3-7-5(9)8-4/h2-3H2,1H3,(H2,6,7,8,9)
InChIKeyLMAIIJPWLCKLQD-UHFFFAOYSA-N
XLogP-0.28
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
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 4-ethyliminoimidazolidin-2-one?
The IUPAC name of 4-ethyliminoimidazolidin-2-one (CID 140604957) is 4-ethyliminoimidazolidin-2-one.
What is the SMILES notation for 4-ethyliminoimidazolidin-2-one?
The canonical SMILES for 4-ethyliminoimidazolidin-2-one is CC/N=C1\CNC(=O)N1.
What is the InChIKey of 4-ethyliminoimidazolidin-2-one?
The InChIKey is LMAIIJPWLCKLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-2-6-4-3-7-5(9)8-4/h2-3H2,1H3,(H2,6,7,8,9).
What are the key properties of 4-ethyliminoimidazolidin-2-one?
4-ethyliminoimidazolidin-2-one has a molecular weight of 127.15 g/mol, XLogP of -0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyliminoimidazolidin-2-one is sourced from PubChem (CID 140604957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).