4,5-bis(ethenyl)-1,5-dihydroimidazol-2-one

C7H8N2O — CID 68900215

IUPAC4,5-bis(ethenyl)-1,5-dihydroimidazol-2-one
SMILESC=CC1=NC(=O)NC1C=C
InChIInChI=1S/C7H8N2O/c1-3-5-6(4-2)9-7(10)8-5/h3-5H,1-2H2,(H,8,10)
InChIKeyBTSLWDMJMBBYLU-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.89
Rot. Bonds2

About 4,5-bis(ethenyl)-1,5-dihydroimidazol-2-one

4,5-bis(ethenyl)-1,5-dihydroimidazol-2-one (PubChem CID 68900215) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-1,5-dihydroimidazol-2-one.

Molecular Properties

Compound Name4,5-bis(ethenyl)-1,5-dihydroimidazol-2-one
PubChem CID68900215
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name4,5-bis(ethenyl)-1,5-dihydroimidazol-2-one
SMILESC=CC1=NC(=O)NC1C=C
InChIInChI=1S/C7H8N2O/c1-3-5-6(4-2)9-7(10)8-5/h3-5H,1-2H2,(H,8,10)
InChIKeyBTSLWDMJMBBYLU-UHFFFAOYSA-N
XLogP0.89
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)-1,5-dihydroimidazol-2-one?
The IUPAC name of 4,5-bis(ethenyl)-1,5-dihydroimidazol-2-one (CID 68900215) is 4,5-bis(ethenyl)-1,5-dihydroimidazol-2-one.
What is the SMILES notation for 4,5-bis(ethenyl)-1,5-dihydroimidazol-2-one?
The canonical SMILES for 4,5-bis(ethenyl)-1,5-dihydroimidazol-2-one is C=CC1=NC(=O)NC1C=C.
What is the InChIKey of 4,5-bis(ethenyl)-1,5-dihydroimidazol-2-one?
The InChIKey is BTSLWDMJMBBYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-3-5-6(4-2)9-7(10)8-5/h3-5H,1-2H2,(H,8,10).
What are the key properties of 4,5-bis(ethenyl)-1,5-dihydroimidazol-2-one?
4,5-bis(ethenyl)-1,5-dihydroimidazol-2-one has a molecular weight of 136.15 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-1,5-dihydroimidazol-2-one is sourced from PubChem (CID 68900215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).