2-methyl-1-(2-methylimidazol-1-yl)prop-2-en-1-one

C8H10N2O — CID 19895249

IUPAC2-methyl-1-(2-methylimidazol-1-yl)prop-2-en-1-one
SMILESC=C(C)C(=O)n1ccnc1C
InChIInChI=1S/C8H10N2O/c1-6(2)8(11)10-5-4-9-7(10)3/h4-5H,1H2,2-3H3
InChIKeyIRHUOYRJRDSFLJ-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.41
Rot. Bonds1

About 2-methyl-1-(2-methylimidazol-1-yl)prop-2-en-1-one

2-methyl-1-(2-methylimidazol-1-yl)prop-2-en-1-one (PubChem CID 19895249) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-methyl-1-(2-methylimidazol-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name2-methyl-1-(2-methylimidazol-1-yl)prop-2-en-1-one
PubChem CID19895249
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2-methyl-1-(2-methylimidazol-1-yl)prop-2-en-1-one
SMILESC=C(C)C(=O)n1ccnc1C
InChIInChI=1S/C8H10N2O/c1-6(2)8(11)10-5-4-9-7(10)3/h4-5H,1H2,2-3H3
InChIKeyIRHUOYRJRDSFLJ-UHFFFAOYSA-N
XLogP1.41
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-methyl-1-(2-methylimidazol-1-yl)prop-2-en-1-one?
The IUPAC name of 2-methyl-1-(2-methylimidazol-1-yl)prop-2-en-1-one (CID 19895249) is 2-methyl-1-(2-methylimidazol-1-yl)prop-2-en-1-one.
What is the SMILES notation for 2-methyl-1-(2-methylimidazol-1-yl)prop-2-en-1-one?
The canonical SMILES for 2-methyl-1-(2-methylimidazol-1-yl)prop-2-en-1-one is C=C(C)C(=O)n1ccnc1C.
What is the InChIKey of 2-methyl-1-(2-methylimidazol-1-yl)prop-2-en-1-one?
The InChIKey is IRHUOYRJRDSFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-6(2)8(11)10-5-4-9-7(10)3/h4-5H,1H2,2-3H3.
What are the key properties of 2-methyl-1-(2-methylimidazol-1-yl)prop-2-en-1-one?
2-methyl-1-(2-methylimidazol-1-yl)prop-2-en-1-one has a molecular weight of 150.18 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylimidazol-1-yl)prop-2-en-1-one is sourced from PubChem (CID 19895249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).