2-(3-ethoxycyclobutyl)-1-(1-methylimidazol-2-yl)ethanone

C12H18N2O2 — CID 103167849

IUPAC2-(3-ethoxycyclobutyl)-1-(1-methylimidazol-2-yl)ethanone
SMILESCCOC1CC(CC(=O)c2nccn2C)C1
InChIInChI=1S/C12H18N2O2/c1-3-16-10-6-9(7-10)8-11(15)12-13-4-5-14(12)2/h4-5,9-10H,3,6-8H2,1-2H3
InChIKeyQINIRDXMJVYDCX-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.81
Rot. Bonds5

About 2-(3-ethoxycyclobutyl)-1-(1-methylimidazol-2-yl)ethanone

2-(3-ethoxycyclobutyl)-1-(1-methylimidazol-2-yl)ethanone (PubChem CID 103167849) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-1-(1-methylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-1-(1-methylimidazol-2-yl)ethanone
PubChem CID103167849
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(3-ethoxycyclobutyl)-1-(1-methylimidazol-2-yl)ethanone
SMILESCCOC1CC(CC(=O)c2nccn2C)C1
InChIInChI=1S/C12H18N2O2/c1-3-16-10-6-9(7-10)8-11(15)12-13-4-5-14(12)2/h4-5,9-10H,3,6-8H2,1-2H3
InChIKeyQINIRDXMJVYDCX-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-methylimidazol-2-yl)ethanone
CID 116588233
1-(4-chloro-1-methylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103168123
ethyl 3-(1-methylimidazol-2-yl)-3-oxopropanoate
CID 58066133
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-ethylimidazol-2-yl)ethanone
CID 116588362
2-(cyclopropylamino)-1-(1-methylimidazol-2-yl)ethanone
CID 82468293
3-ethoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine
CID 112553123
2-(dimethylamino)-1-(1-methylimidazol-2-yl)ethanone
CID 79078425
(2-methylcyclopropyl)-(1-methylimidazol-2-yl)methanone
CID 60659997
4-(1-methylimidazol-2-yl)-4-oxobutanoic acid
CID 80503766
1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103162468
1-(2-chlorophenyl)-2-(3-ethoxycyclobutyl)ethanone
CID 103167728
1-(3-ethoxycyclobutyl)-3-pyridin-4-ylpropan-2-one
CID 103164289

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclobutyl)-1-(1-methylimidazol-2-yl)ethanone?
The IUPAC name of 2-(3-ethoxycyclobutyl)-1-(1-methylimidazol-2-yl)ethanone (CID 103167849) is 2-(3-ethoxycyclobutyl)-1-(1-methylimidazol-2-yl)ethanone.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-1-(1-methylimidazol-2-yl)ethanone?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-1-(1-methylimidazol-2-yl)ethanone is CCOC1CC(CC(=O)c2nccn2C)C1.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-1-(1-methylimidazol-2-yl)ethanone?
The InChIKey is QINIRDXMJVYDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-16-10-6-9(7-10)8-11(15)12-13-4-5-14(12)2/h4-5,9-10H,3,6-8H2,1-2H3.
What are the key properties of 2-(3-ethoxycyclobutyl)-1-(1-methylimidazol-2-yl)ethanone?
2-(3-ethoxycyclobutyl)-1-(1-methylimidazol-2-yl)ethanone has a molecular weight of 222.29 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycyclobutyl)-1-(1-methylimidazol-2-yl)ethanone is sourced from PubChem (CID 103167849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).