4-(2-methylprop-2-enylidene)-1H-imidazol-5-one

C7H8N2O — CID 137208175

IUPAC4-(2-methylprop-2-enylidene)-1H-imidazol-5-one
SMILESC=C(C)C=C1N=CNC1=O
InChIInChI=1S/C7H8N2O/c1-5(2)3-6-7(10)9-4-8-6/h3-4H,1H2,2H3,(H,8,9,10)
InChIKeyGBZNQUQVVNNDSO-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.60
Rot. Bonds1

About 4-(2-methylprop-2-enylidene)-1H-imidazol-5-one

4-(2-methylprop-2-enylidene)-1H-imidazol-5-one (PubChem CID 137208175) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 4-(2-methylprop-2-enylidene)-1H-imidazol-5-one.

Molecular Properties

Compound Name4-(2-methylprop-2-enylidene)-1H-imidazol-5-one
PubChem CID137208175
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name4-(2-methylprop-2-enylidene)-1H-imidazol-5-one
SMILESC=C(C)C=C1N=CNC1=O
InChIInChI=1S/C7H8N2O/c1-5(2)3-6-7(10)9-4-8-6/h3-4H,1H2,2H3,(H,8,9,10)
InChIKeyGBZNQUQVVNNDSO-UHFFFAOYSA-N
XLogP0.60
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylprop-2-enylidene)-1H-imidazol-5-one?
The IUPAC name of 4-(2-methylprop-2-enylidene)-1H-imidazol-5-one (CID 137208175) is 4-(2-methylprop-2-enylidene)-1H-imidazol-5-one.
What is the SMILES notation for 4-(2-methylprop-2-enylidene)-1H-imidazol-5-one?
The canonical SMILES for 4-(2-methylprop-2-enylidene)-1H-imidazol-5-one is C=C(C)C=C1N=CNC1=O.
What is the InChIKey of 4-(2-methylprop-2-enylidene)-1H-imidazol-5-one?
The InChIKey is GBZNQUQVVNNDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-5(2)3-6-7(10)9-4-8-6/h3-4H,1H2,2H3,(H,8,9,10).
What are the key properties of 4-(2-methylprop-2-enylidene)-1H-imidazol-5-one?
4-(2-methylprop-2-enylidene)-1H-imidazol-5-one has a molecular weight of 136.15 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylprop-2-enylidene)-1H-imidazol-5-one is sourced from PubChem (CID 137208175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).