1-(1-methylimidazol-2-yl)propan-2-one

C7H10N2O — CID 60758006

IUPAC1-(1-methylimidazol-2-yl)propan-2-one
SMILESCC(=O)Cc1nccn1C
InChIInChI=1S/C7H10N2O/c1-6(10)5-7-8-3-4-9(7)2/h3-4H,5H2,1-2H3
InChIKeyUKUJEYITNZZVJZ-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.55
Rot. Bonds2

About 1-(1-methylimidazol-2-yl)propan-2-one

1-(1-methylimidazol-2-yl)propan-2-one (PubChem CID 60758006) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)propan-2-one
PubChem CID60758006
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name1-(1-methylimidazol-2-yl)propan-2-one
SMILESCC(=O)Cc1nccn1C
InChIInChI=1S/C7H10N2O/c1-6(10)5-7-8-3-4-9(7)2/h3-4H,5H2,1-2H3
InChIKeyUKUJEYITNZZVJZ-UHFFFAOYSA-N
XLogP0.55
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Butylimidazole
CID 61347
1-Butyl-2,3-dimethylimidazolium chloride
CID 2734167
1,2-Dimethyl-3-propylimidazolium Iodide
CID 11459786
1-Butyl-2-methyl-1H-imidazole
CID 304622
2,2,2-trifluoro-1-(1-methyl-1H-imidazol-2-yl)ethan-1-one
CID 12325302
1-Butyl-2,3-dimethylimidazolium bromide
CID 2734241
1-Butyrylimidazole
CID 643404
1-methyl-2-(1-methyl-1H-imidazole-2-carbonyl)-1H-imidazole
CID 4594484
3-(2-methyl-1H-imidazol-1-yl)propanoic acid
CID 654387
3-(2-isopropyl-1H-imidazol-1-yl)propanoic acid
CID 747640
1-(1-Methyl-1H-imidazol-2-yl)ethan-1-one
CID 14339671
1-(1-oxopropyl)-1H-imidazole
CID 77770

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)propan-2-one?
The IUPAC name of 1-(1-methylimidazol-2-yl)propan-2-one (CID 60758006) is 1-(1-methylimidazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)propan-2-one?
The canonical SMILES for 1-(1-methylimidazol-2-yl)propan-2-one is CC(=O)Cc1nccn1C.
What is the InChIKey of 1-(1-methylimidazol-2-yl)propan-2-one?
The InChIKey is UKUJEYITNZZVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-6(10)5-7-8-3-4-9(7)2/h3-4H,5H2,1-2H3.
What are the key properties of 1-(1-methylimidazol-2-yl)propan-2-one?
1-(1-methylimidazol-2-yl)propan-2-one has a molecular weight of 138.17 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)propan-2-one is sourced from PubChem (CID 60758006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).