1,3-bis(ethenyl)imidazol-2-one

C7H8N2O — CID 45087691

IUPAC1,3-bis(ethenyl)imidazol-2-one
SMILESC=Cn1ccn(C=C)c1=O
InChIInChI=1S/C7H8N2O/c1-3-8-5-6-9(4-2)7(8)10/h3-6H,1-2H2
InChIKeyLUJRIRBQVSBUCP-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.85
Rot. Bonds2

About 1,3-bis(ethenyl)imidazol-2-one

1,3-bis(ethenyl)imidazol-2-one (PubChem CID 45087691) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 1,3-bis(ethenyl)imidazol-2-one.

Molecular Properties

Compound Name1,3-bis(ethenyl)imidazol-2-one
PubChem CID45087691
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name1,3-bis(ethenyl)imidazol-2-one
SMILESC=Cn1ccn(C=C)c1=O
InChIInChI=1S/C7H8N2O/c1-3-8-5-6-9(4-2)7(8)10/h3-6H,1-2H2
InChIKeyLUJRIRBQVSBUCP-UHFFFAOYSA-N
XLogP0.85
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(ethenyl)imidazol-2-one?
The IUPAC name of 1,3-bis(ethenyl)imidazol-2-one (CID 45087691) is 1,3-bis(ethenyl)imidazol-2-one.
What is the SMILES notation for 1,3-bis(ethenyl)imidazol-2-one?
The canonical SMILES for 1,3-bis(ethenyl)imidazol-2-one is C=Cn1ccn(C=C)c1=O.
What is the InChIKey of 1,3-bis(ethenyl)imidazol-2-one?
The InChIKey is LUJRIRBQVSBUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-3-8-5-6-9(4-2)7(8)10/h3-6H,1-2H2.
What are the key properties of 1,3-bis(ethenyl)imidazol-2-one?
1,3-bis(ethenyl)imidazol-2-one has a molecular weight of 136.15 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(ethenyl)imidazol-2-one is sourced from PubChem (CID 45087691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).