2,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-1-one

C11H18N2O — CID 10726487

IUPAC2,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-1-one
SMILESCC(C(=O)c1nccn1C)C(C)(C)C
InChIInChI=1S/C11H18N2O/c1-8(11(2,3)4)9(14)10-12-6-7-13(10)5/h6-8H,1-5H3
InChIKeyJCVKJHYPBOJAIM-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.29
Rot. Bonds2

About 2,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-1-one

2,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-1-one (PubChem CID 10726487) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-1-one.

Molecular Properties

Compound Name2,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-1-one
PubChem CID10726487
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-1-one
SMILESCC(C(=O)c1nccn1C)C(C)(C)C
InChIInChI=1S/C11H18N2O/c1-8(11(2,3)4)9(14)10-12-6-7-13(10)5/h6-8H,1-5H3
InChIKeyJCVKJHYPBOJAIM-UHFFFAOYSA-N
XLogP2.29
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Methyl-1H-imidazol-2-yl)ethan-1-one
CID 14339671
1-(1-ethyl-1H-imidazol-2-yl)ethan-1-one
CID 23564055
1-(1-methyl-1H-imidazol-2-yl)propan-1-one
CID 60660029
3-(3,3-dimethyl-2-oxobutyl)-1-vinyl-1H-imidazol-3-ium bromide
CID 2881597
4-(1-methyl-1H-imidazol-2-yl)butan-2-one
CID 58664383
3-methyl-1-(1-methyl-1H-imidazol-2-yl)butan-2-one
CID 60758001
1-(1-methyl-1H-imidazol-2-yl)butan-2-one
CID 60758008
4,4-Dimethyl-1-(1-methylimidazol-2-yl)pentan-1-one
CID 10512030
1-(1H-Imidazol-1-yl)-3,3-dimethylbutan-2-one
CID 12769453
3-(1-methyl-1H-imidazol-2-yl)cyclohexan-1-one
CID 64521900
1-Cyclopropyl-2-(1-methylimidazol-2-yl)ethanone;hydrochloride
CID 154832831
3-(3,3-dimethyl-2-oxobutyl)-1-ethenyl-1H-imidazol-3-ium
CID 2264882

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-1-one?
The IUPAC name of 2,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-1-one (CID 10726487) is 2,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-1-one.
What is the SMILES notation for 2,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-1-one?
The canonical SMILES for 2,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-1-one is CC(C(=O)c1nccn1C)C(C)(C)C.
What is the InChIKey of 2,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-1-one?
The InChIKey is JCVKJHYPBOJAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(11(2,3)4)9(14)10-12-6-7-13(10)5/h6-8H,1-5H3.
What are the key properties of 2,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-1-one?
2,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-1-one has a molecular weight of 194.28 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-1-one is sourced from PubChem (CID 10726487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).