(1-ethylimidazol-4-yl)-(oxolan-3-yl)methanone

C10H14N2O2 — CID 126976704

IUPAC(1-ethylimidazol-4-yl)-(oxolan-3-yl)methanone
SMILESCCn1cnc(C(=O)C2CCOC2)c1
InChIInChI=1S/C10H14N2O2/c1-2-12-5-9(11-7-12)10(13)8-3-4-14-6-8/h5,7-8H,2-4,6H2,1H3
InChIKeyCSKSOYFNFCYOBU-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.12
Rot. Bonds3

About (1-ethylimidazol-4-yl)-(oxolan-3-yl)methanone

(1-ethylimidazol-4-yl)-(oxolan-3-yl)methanone (PubChem CID 126976704) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (1-ethylimidazol-4-yl)-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name(1-ethylimidazol-4-yl)-(oxolan-3-yl)methanone
PubChem CID126976704
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(1-ethylimidazol-4-yl)-(oxolan-3-yl)methanone
SMILESCCn1cnc(C(=O)C2CCOC2)c1
InChIInChI=1S/C10H14N2O2/c1-2-12-5-9(11-7-12)10(13)8-3-4-14-6-8/h5,7-8H,2-4,6H2,1H3
InChIKeyCSKSOYFNFCYOBU-UHFFFAOYSA-N
XLogP1.12
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-4-yl)methanone
CID 130509710
(1-ethylimidazol-4-yl)-pyrrolidin-3-ylmethanone
CID 130509568
3,4-dihydro-2H-chromen-3-yl-(1-ethylimidazol-4-yl)methanone
CID 114272621
(2-methyltriazol-4-yl)-(oxolan-3-yl)methanone
CID 130521398
1-ethylimidazole-4-carboxylic acid;hydrochloride
CID 122156639
2,3-dihydro-1-benzofuran-3-yl-(1-ethylimidazol-4-yl)methanone
CID 114272629
(4-ethoxyphenyl)-(oxolan-3-yl)methanone
CID 61272590
[1-(2-aminoethyl)imidazol-4-yl]-(4-ethylcyclohexyl)methanone
CID 107501563
(1,3-dimethylpyrazol-4-yl)-(oxan-3-yl)methanone
CID 107138570
2-(3,5-diethylpyrazol-1-yl)-1-(oxolan-3-yl)ethanone
CID 104751613
cyclohexyl-(1-methylimidazol-4-yl)methanone
CID 107976351
(2-methoxy-1,3-thiazol-4-yl)-(oxolan-3-yl)methanone
CID 130571308

Frequently Asked Questions

What is the IUPAC name of (1-ethylimidazol-4-yl)-(oxolan-3-yl)methanone?
The IUPAC name of (1-ethylimidazol-4-yl)-(oxolan-3-yl)methanone (CID 126976704) is (1-ethylimidazol-4-yl)-(oxolan-3-yl)methanone.
What is the SMILES notation for (1-ethylimidazol-4-yl)-(oxolan-3-yl)methanone?
The canonical SMILES for (1-ethylimidazol-4-yl)-(oxolan-3-yl)methanone is CCn1cnc(C(=O)C2CCOC2)c1.
What is the InChIKey of (1-ethylimidazol-4-yl)-(oxolan-3-yl)methanone?
The InChIKey is CSKSOYFNFCYOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-12-5-9(11-7-12)10(13)8-3-4-14-6-8/h5,7-8H,2-4,6H2,1H3.
What are the key properties of (1-ethylimidazol-4-yl)-(oxolan-3-yl)methanone?
(1-ethylimidazol-4-yl)-(oxolan-3-yl)methanone has a molecular weight of 194.23 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylimidazol-4-yl)-(oxolan-3-yl)methanone is sourced from PubChem (CID 126976704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).