1-(1-ethylimidazol-2-yl)-3-methoxy-3-methylbutan-1-one

C11H18N2O2 — CID 103023250

IUPAC1-(1-ethylimidazol-2-yl)-3-methoxy-3-methylbutan-1-one
SMILESCCn1ccnc1C(=O)CC(C)(C)OC
InChIInChI=1S/C11H18N2O2/c1-5-13-7-6-12-10(13)9(14)8-11(2,3)15-4/h6-7H,5,8H2,1-4H3
InChIKeyCQOZQIPGZVHLIR-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.90
Rot. Bonds5

About 1-(1-ethylimidazol-2-yl)-3-methoxy-3-methylbutan-1-one

1-(1-ethylimidazol-2-yl)-3-methoxy-3-methylbutan-1-one (PubChem CID 103023250) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-3-methoxy-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-3-methoxy-3-methylbutan-1-one
PubChem CID103023250
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-(1-ethylimidazol-2-yl)-3-methoxy-3-methylbutan-1-one
SMILESCCn1ccnc1C(=O)CC(C)(C)OC
InChIInChI=1S/C11H18N2O2/c1-5-13-7-6-12-10(13)9(14)8-11(2,3)15-4/h6-7H,5,8H2,1-4H3
InChIKeyCQOZQIPGZVHLIR-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one
CID 116571399
2-ethoxy-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-one
CID 116710204
1-(1-ethylimidazol-2-yl)-3,5,5-trimethylhexan-1-one
CID 114973012
1-(1-ethylimidazol-2-yl)-4-methoxy-3-methylbutan-1-one
CID 105101248
1-(1-ethylimidazol-2-yl)-2-hydroxy-2-methylbutan-1-one
CID 103446629
2-(aminomethyl)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one
CID 116610931
3-amino-1-(1-ethylimidazol-2-yl)-5,5-dimethylhexan-1-one
CID 116614691
1-(1-ethylimidazol-2-yl)-3-(methylamino)propan-1-one
CID 116561163
2-(1-ethylimidazol-2-yl)-2-oxoacetic acid
CID 66669024
2-(dimethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one
CID 79052166
1-(1-ethylimidazol-2-yl)-2-(4-methylphenyl)ethanone
CID 63975424
3-cyclopentyl-1-(1-ethylimidazol-2-yl)propan-1-one
CID 114973036

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-3-methoxy-3-methylbutan-1-one?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-3-methoxy-3-methylbutan-1-one (CID 103023250) is 1-(1-ethylimidazol-2-yl)-3-methoxy-3-methylbutan-1-one.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-3-methoxy-3-methylbutan-1-one?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-3-methoxy-3-methylbutan-1-one is CCn1ccnc1C(=O)CC(C)(C)OC.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-3-methoxy-3-methylbutan-1-one?
The InChIKey is CQOZQIPGZVHLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-5-13-7-6-12-10(13)9(14)8-11(2,3)15-4/h6-7H,5,8H2,1-4H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-3-methoxy-3-methylbutan-1-one?
1-(1-ethylimidazol-2-yl)-3-methoxy-3-methylbutan-1-one has a molecular weight of 210.28 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-3-methoxy-3-methylbutan-1-one is sourced from PubChem (CID 103023250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).