4,5-bis(prop-2-enyl)imidazol-2-one

C9H10N2O — CID 90204616

IUPAC4,5-bis(prop-2-enyl)imidazol-2-one
SMILESC=CCC1=NC(=O)N=C1CC=C
InChIInChI=1S/C9H10N2O/c1-3-5-7-8(6-4-2)11-9(12)10-7/h3-4H,1-2,5-6H2
InChIKeyDUXHEITXGFMRFI-UHFFFAOYSA-N
MW162.19 g/mol
LogP2.15
Rot. Bonds4

About 4,5-bis(prop-2-enyl)imidazol-2-one

4,5-bis(prop-2-enyl)imidazol-2-one (PubChem CID 90204616) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 4,5-bis(prop-2-enyl)imidazol-2-one.

Molecular Properties

Compound Name4,5-bis(prop-2-enyl)imidazol-2-one
PubChem CID90204616
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name4,5-bis(prop-2-enyl)imidazol-2-one
SMILESC=CCC1=NC(=O)N=C1CC=C
InChIInChI=1S/C9H10N2O/c1-3-5-7-8(6-4-2)11-9(12)10-7/h3-4H,1-2,5-6H2
InChIKeyDUXHEITXGFMRFI-UHFFFAOYSA-N
XLogP2.15
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.15
H-Bond Donors ≤ 50
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(prop-2-enyl)imidazol-2-one?
The IUPAC name of 4,5-bis(prop-2-enyl)imidazol-2-one (CID 90204616) is 4,5-bis(prop-2-enyl)imidazol-2-one.
What is the SMILES notation for 4,5-bis(prop-2-enyl)imidazol-2-one?
The canonical SMILES for 4,5-bis(prop-2-enyl)imidazol-2-one is C=CCC1=NC(=O)N=C1CC=C.
What is the InChIKey of 4,5-bis(prop-2-enyl)imidazol-2-one?
The InChIKey is DUXHEITXGFMRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-3-5-7-8(6-4-2)11-9(12)10-7/h3-4H,1-2,5-6H2.
What are the key properties of 4,5-bis(prop-2-enyl)imidazol-2-one?
4,5-bis(prop-2-enyl)imidazol-2-one has a molecular weight of 162.19 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(prop-2-enyl)imidazol-2-one is sourced from PubChem (CID 90204616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).