1-[(E)-ethylideneamino]imidazolidin-2-one

C5H9N3O — CID 55286718

IUPAC1-[(E)-ethylideneamino]imidazolidin-2-one
SMILESC/C=N/N1CCNC1=O
InChIInChI=1S/C5H9N3O/c1-2-7-8-4-3-6-5(8)9/h2H,3-4H2,1H3,(H,6,9)/b7-2+
InChIKeyBHOQKLFVLUOCRJ-FARCUNLSSA-N
MW127.15 g/mol
LogP0.02
Rot. Bonds1

About 1-[(E)-ethylideneamino]imidazolidin-2-one

1-[(E)-ethylideneamino]imidazolidin-2-one (PubChem CID 55286718) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 1-[(E)-ethylideneamino]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(E)-ethylideneamino]imidazolidin-2-one
PubChem CID55286718
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name1-[(E)-ethylideneamino]imidazolidin-2-one
SMILESC/C=N/N1CCNC1=O
InChIInChI=1S/C5H9N3O/c1-2-7-8-4-3-6-5(8)9/h2H,3-4H2,1H3,(H,6,9)/b7-2+
InChIKeyBHOQKLFVLUOCRJ-FARCUNLSSA-N
XLogP0.02
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 50.02
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 1-[(E)-ethylideneamino]imidazolidin-2-one?
The IUPAC name of 1-[(E)-ethylideneamino]imidazolidin-2-one (CID 55286718) is 1-[(E)-ethylideneamino]imidazolidin-2-one.
What is the SMILES notation for 1-[(E)-ethylideneamino]imidazolidin-2-one?
The canonical SMILES for 1-[(E)-ethylideneamino]imidazolidin-2-one is C/C=N/N1CCNC1=O.
What is the InChIKey of 1-[(E)-ethylideneamino]imidazolidin-2-one?
The InChIKey is BHOQKLFVLUOCRJ-FARCUNLSSA-N. The full InChI is InChI=1S/C5H9N3O/c1-2-7-8-4-3-6-5(8)9/h2H,3-4H2,1H3,(H,6,9)/b7-2+.
What are the key properties of 1-[(E)-ethylideneamino]imidazolidin-2-one?
1-[(E)-ethylideneamino]imidazolidin-2-one has a molecular weight of 127.15 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-ethylideneamino]imidazolidin-2-one is sourced from PubChem (CID 55286718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).