3-ethenylimidazolidin-4-one

C5H8N2O — CID 175408884

IUPAC3-ethenylimidazolidin-4-one
SMILESC=CN1CNCC1=O
InChIInChI=1S/C5H8N2O/c1-2-7-4-6-3-5(7)8/h2,6H,1,3-4H2
InChIKeyAQTQHBJMSHNRGG-UHFFFAOYSA-N
MW112.13 g/mol
LogP-0.48
Rot. Bonds1

About 3-ethenylimidazolidin-4-one

3-ethenylimidazolidin-4-one (PubChem CID 175408884) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 3-ethenylimidazolidin-4-one.

Molecular Properties

Compound Name3-ethenylimidazolidin-4-one
PubChem CID175408884
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name3-ethenylimidazolidin-4-one
SMILESC=CN1CNCC1=O
InChIInChI=1S/C5H8N2O/c1-2-7-4-6-3-5(7)8/h2,6H,1,3-4H2
InChIKeyAQTQHBJMSHNRGG-UHFFFAOYSA-N
XLogP-0.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethenylimidazolidin-4-one?
The IUPAC name of 3-ethenylimidazolidin-4-one (CID 175408884) is 3-ethenylimidazolidin-4-one.
What is the SMILES notation for 3-ethenylimidazolidin-4-one?
The canonical SMILES for 3-ethenylimidazolidin-4-one is C=CN1CNCC1=O.
What is the InChIKey of 3-ethenylimidazolidin-4-one?
The InChIKey is AQTQHBJMSHNRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-2-7-4-6-3-5(7)8/h2,6H,1,3-4H2.
What are the key properties of 3-ethenylimidazolidin-4-one?
3-ethenylimidazolidin-4-one has a molecular weight of 112.13 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylimidazolidin-4-one is sourced from PubChem (CID 175408884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).