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

C9H14N2O — CID 13152280

IUPAC2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one
SMILESCn1ccnc1C(=O)C(C)(C)C
InChIInChI=1S/C9H14N2O/c1-9(2,3)7(12)8-10-5-6-11(8)4/h5-6H,1-4H3
InChIKeyKKPWSHOZTUVNHL-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.65
Rot. Bonds1

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

2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one (PubChem CID 13152280) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one
PubChem CID13152280
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one
SMILESCn1ccnc1C(=O)C(C)(C)C
InChIInChI=1S/C9H14N2O/c1-9(2,3)7(12)8-10-5-6-11(8)4/h5-6H,1-4H3
InChIKeyKKPWSHOZTUVNHL-UHFFFAOYSA-N
XLogP1.65
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(dimethylamino)-1-(1-methylimidazol-2-yl)ethanone
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(2-methylcyclopropyl)-(1-methylimidazol-2-yl)methanone
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4-(1-methylimidazol-2-yl)-4-oxobutanoic acid
CID 80503766
(1-ethylcyclopentyl)-(1-methylimidazol-2-yl)methanone
CID 114972980
2-methoxy-1-(1-methylimidazol-2-yl)propan-1-one
CID 79616410
azepan-1-yl-(1-methylimidazol-2-yl)methanone
CID 78994199
2-[(E)-but-2-en-2-yl]-1-methylimidazole
CID 155007735
1-(1-methylimidazol-2-yl)-2-(prop-2-ynylamino)ethanone
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1-(1-methylimidazol-2-yl)-2-propan-2-ylsulfanylethanone
CID 65134336

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one (CID 13152280) is 2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one is Cn1ccnc1C(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one?
The InChIKey is KKPWSHOZTUVNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-9(2,3)7(12)8-10-5-6-11(8)4/h5-6H,1-4H3.
What are the key properties of 2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one?
2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one has a molecular weight of 166.22 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one is sourced from PubChem (CID 13152280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).