1-(1-ethylimidazol-2-yl)-2-(oxolan-3-yl)ethanone

C11H16N2O2 — CID 103986228

IUPAC1-(1-ethylimidazol-2-yl)-2-(oxolan-3-yl)ethanone
SMILESCCn1ccnc1C(=O)CC1CCOC1
InChIInChI=1S/C11H16N2O2/c1-2-13-5-4-12-11(13)10(14)7-9-3-6-15-8-9/h4-5,9H,2-3,6-8H2,1H3
InChIKeyITGHQLWIXOCRDZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.51
Rot. Bonds4

About 1-(1-ethylimidazol-2-yl)-2-(oxolan-3-yl)ethanone

1-(1-ethylimidazol-2-yl)-2-(oxolan-3-yl)ethanone (PubChem CID 103986228) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-2-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-2-(oxolan-3-yl)ethanone
PubChem CID103986228
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(1-ethylimidazol-2-yl)-2-(oxolan-3-yl)ethanone
SMILESCCn1ccnc1C(=O)CC1CCOC1
InChIInChI=1S/C11H16N2O2/c1-2-13-5-4-12-11(13)10(14)7-9-3-6-15-8-9/h4-5,9H,2-3,6-8H2,1H3
InChIKeyITGHQLWIXOCRDZ-UHFFFAOYSA-N
XLogP1.51
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.51
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-ethylimidazol-2-yl)ethanone
CID 116588362
1-(1-ethylimidazol-2-yl)-2-(oxolan-3-yl)ethanol
CID 103986534
(1-ethylimidazol-2-yl)-morpholin-3-ylmethanone
CID 116576330
1-(2-ethylpyrazol-3-yl)-2-(oxolan-3-yl)ethanone
CID 103986189
3-cyclopentyl-1-(1-ethylimidazol-2-yl)propan-1-one
CID 114973036
N-[3-(2-ethylimidazol-1-yl)propyl]-2-[(3S)-oxolan-3-yl]acetamide
CID 126430718
1-(4-ethoxyphenyl)-2-(oxolan-3-yl)ethanone
CID 103986239
(1-ethylimidazol-2-yl)-(2-methyloxolan-3-yl)methanone
CID 114973031
2-[1-(aminomethyl)cyclobutyl]-1-(1-ethylimidazol-2-yl)ethanone
CID 116599518
1-(1-ethylimidazol-2-yl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606043
1-(3-methyltriazol-4-yl)-2-(oxolan-3-yl)ethanone
CID 114686188
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-methylimidazol-2-yl)ethanone
CID 116588233

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-2-(oxolan-3-yl)ethanone?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-2-(oxolan-3-yl)ethanone (CID 103986228) is 1-(1-ethylimidazol-2-yl)-2-(oxolan-3-yl)ethanone.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-2-(oxolan-3-yl)ethanone?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-2-(oxolan-3-yl)ethanone is CCn1ccnc1C(=O)CC1CCOC1.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-2-(oxolan-3-yl)ethanone?
The InChIKey is ITGHQLWIXOCRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-13-5-4-12-11(13)10(14)7-9-3-6-15-8-9/h4-5,9H,2-3,6-8H2,1H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-2-(oxolan-3-yl)ethanone?
1-(1-ethylimidazol-2-yl)-2-(oxolan-3-yl)ethanone has a molecular weight of 208.26 g/mol, XLogP of 1.51, 4 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)-2-(oxolan-3-yl)ethanone is sourced from PubChem (CID 103986228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).