4-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one

C11H18N2O2 — CID 103023359

IUPAC4-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one
SMILESCOC(C)(C)CC(=O)Cc1nccn1C
InChIInChI=1S/C11H18N2O2/c1-11(2,15-4)8-9(14)7-10-12-5-6-13(10)3/h5-6H,7-8H2,1-4H3
InChIKeyAUKYJAHMLHYYPX-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.35
Rot. Bonds5

About 4-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one

4-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one (PubChem CID 103023359) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one
PubChem CID103023359
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one
SMILESCOC(C)(C)CC(=O)Cc1nccn1C
InChIInChI=1S/C11H18N2O2/c1-11(2,15-4)8-9(14)7-10-12-5-6-13(10)3/h5-6H,7-8H2,1-4H3
InChIKeyAUKYJAHMLHYYPX-UHFFFAOYSA-N
XLogP1.35
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylimidazol-2-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-one
CID 105116272
1-tert-butylsulfanyl-3-(1-methylimidazol-2-yl)propan-2-one
CID 79743927
4-(2-methoxyethoxy)-1-(1-methylimidazol-2-yl)butan-2-one
CID 102927313
4-methoxy-4-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-one
CID 103023319
7-amino-5,5-dimethyl-1-(1-methylimidazol-2-yl)heptan-2-one
CID 116574886
1-(1-methylimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one
CID 79743827
1-(1-methylimidazol-2-yl)heptan-2-one
CID 115580314
4-ethyl-4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-one
CID 114529670
1-anilino-3-(1-methylimidazol-2-yl)propan-2-one
CID 116555402
3,3-dimethyl-4-(1-methylimidazol-2-yl)butanoic acid
CID 81003658
3-(diethylamino)-3-methyl-1-(1-methylimidazol-2-yl)butan-2-one
CID 79743734
hydron;2-(1-methylimidazol-2-yl)acetic acid;hexafluorophosphate
CID 174920085

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one?
The IUPAC name of 4-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one (CID 103023359) is 4-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one.
What is the SMILES notation for 4-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one?
The canonical SMILES for 4-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one is COC(C)(C)CC(=O)Cc1nccn1C.
What is the InChIKey of 4-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one?
The InChIKey is AUKYJAHMLHYYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-11(2,15-4)8-9(14)7-10-12-5-6-13(10)3/h5-6H,7-8H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one?
4-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one has a molecular weight of 210.28 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one is sourced from PubChem (CID 103023359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).