2-(1-ethylimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanone

C12H18N2O2 — CID 116707035

IUPAC2-(1-ethylimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanone
SMILESCCn1ccnc1CC(=O)C1(OC)CCC1
InChIInChI=1S/C12H18N2O2/c1-3-14-8-7-13-11(14)9-10(15)12(16-2)5-4-6-12/h7-8H,3-6,9H2,1-2H3
InChIKeyJXWCVXGLXWZZNU-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.58
Rot. Bonds5

About 2-(1-ethylimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanone

2-(1-ethylimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanone (PubChem CID 116707035) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(1-ethylimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanone.

Molecular Properties

Compound Name2-(1-ethylimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanone
PubChem CID116707035
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(1-ethylimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanone
SMILESCCn1ccnc1CC(=O)C1(OC)CCC1
InChIInChI=1S/C12H18N2O2/c1-3-14-8-7-13-11(14)9-10(15)12(16-2)5-4-6-12/h7-8H,3-6,9H2,1-2H3
InChIKeyJXWCVXGLXWZZNU-UHFFFAOYSA-N
XLogP1.58
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylimidazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one
CID 103558888
1-(1-aminocyclobutyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 116598354
2-(1-ethylimidazol-2-yl)-1-(1-hydroxycyclohexyl)ethanone
CID 103449747
1-(1-methoxycyclopentyl)-2-(1-methylimidazol-2-yl)ethanone
CID 104610093
(1-ethylimidazol-2-yl)-(1-methoxycyclopentyl)methanone
CID 104610250
1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(1-ethylimidazol-2-yl)ethanone
CID 79744573
1-(1-hydroxycyclohexyl)-2-(1-propylimidazol-2-yl)ethanone
CID 103449553
1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-one
CID 79743912
1-cyclobutyl-2-(1-ethylimidazol-2-yl)ethanone
CID 79744561
(1-methoxycyclobutyl)-(1-propylimidazol-2-yl)methanone
CID 116706985
1-(4,4-difluorocyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 105115196
2-(1-ethylimidazol-2-yl)-1-(1-methoxycyclohexyl)ethanol
CID 116753292

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanone?
The IUPAC name of 2-(1-ethylimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanone (CID 116707035) is 2-(1-ethylimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanone.
What is the SMILES notation for 2-(1-ethylimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanone?
The canonical SMILES for 2-(1-ethylimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanone is CCn1ccnc1CC(=O)C1(OC)CCC1.
What is the InChIKey of 2-(1-ethylimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanone?
The InChIKey is JXWCVXGLXWZZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-14-8-7-13-11(14)9-10(15)12(16-2)5-4-6-12/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 2-(1-ethylimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanone?
2-(1-ethylimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanone has a molecular weight of 222.29 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanone is sourced from PubChem (CID 116707035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).