1-(1,2-dimethylimidazol-4-yl)propan-2-one

C8H12N2O — CID 82595022

IUPAC1-(1,2-dimethylimidazol-4-yl)propan-2-one
SMILESCC(=O)Cc1cn(C)c(C)n1
InChIInChI=1S/C8H12N2O/c1-6(11)4-8-5-10(3)7(2)9-8/h5H,4H2,1-3H3
InChIKeyIJCRWLWWGWSOSL-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.86
Rot. Bonds2

About 1-(1,2-dimethylimidazol-4-yl)propan-2-one

1-(1,2-dimethylimidazol-4-yl)propan-2-one (PubChem CID 82595022) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-(1,2-dimethylimidazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(1,2-dimethylimidazol-4-yl)propan-2-one
PubChem CID82595022
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-(1,2-dimethylimidazol-4-yl)propan-2-one
SMILESCC(=O)Cc1cn(C)c(C)n1
InChIInChI=1S/C8H12N2O/c1-6(11)4-8-5-10(3)7(2)9-8/h5H,4H2,1-3H3
InChIKeyIJCRWLWWGWSOSL-UHFFFAOYSA-N
XLogP0.86
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylimidazol-4-yl)propan-2-one?
The IUPAC name of 1-(1,2-dimethylimidazol-4-yl)propan-2-one (CID 82595022) is 1-(1,2-dimethylimidazol-4-yl)propan-2-one.
What is the SMILES notation for 1-(1,2-dimethylimidazol-4-yl)propan-2-one?
The canonical SMILES for 1-(1,2-dimethylimidazol-4-yl)propan-2-one is CC(=O)Cc1cn(C)c(C)n1.
What is the InChIKey of 1-(1,2-dimethylimidazol-4-yl)propan-2-one?
The InChIKey is IJCRWLWWGWSOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6(11)4-8-5-10(3)7(2)9-8/h5H,4H2,1-3H3.
What are the key properties of 1-(1,2-dimethylimidazol-4-yl)propan-2-one?
1-(1,2-dimethylimidazol-4-yl)propan-2-one has a molecular weight of 152.20 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylimidazol-4-yl)propan-2-one is sourced from PubChem (CID 82595022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).