(1-ethylimidazol-2-yl)-(2-methyloxolan-3-yl)methanone

C11H16N2O2 — CID 114973031

IUPAC(1-ethylimidazol-2-yl)-(2-methyloxolan-3-yl)methanone
SMILESCCn1ccnc1C(=O)C1CCOC1C
InChIInChI=1S/C11H16N2O2/c1-3-13-6-5-12-11(13)10(14)9-4-7-15-8(9)2/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyZHCCHCAFMBJNKU-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.51
Rot. Bonds3

About (1-ethylimidazol-2-yl)-(2-methyloxolan-3-yl)methanone

(1-ethylimidazol-2-yl)-(2-methyloxolan-3-yl)methanone (PubChem CID 114973031) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (1-ethylimidazol-2-yl)-(2-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(1-ethylimidazol-2-yl)-(2-methyloxolan-3-yl)methanone
PubChem CID114973031
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(1-ethylimidazol-2-yl)-(2-methyloxolan-3-yl)methanone
SMILESCCn1ccnc1C(=O)C1CCOC1C
InChIInChI=1S/C11H16N2O2/c1-3-13-6-5-12-11(13)10(14)9-4-7-15-8(9)2/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyZHCCHCAFMBJNKU-UHFFFAOYSA-N
XLogP1.51
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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

(3-methyloxolan-2-yl)-(1-propylimidazol-2-yl)methanone
CID 114972690
3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-2-yl)methanone
CID 114973016
(1-ethylimidazol-2-yl)-morpholin-3-ylmethanone
CID 116576330
1-(1-ethylimidazol-2-yl)-2-(oxolan-3-yl)ethanone
CID 103986228
(3-amino-2-bicyclo[2.2.1]heptanyl)-(1-ethylimidazol-2-yl)methanone
CID 116580834
[(1-ethylimidazol-2-yl)-(2-methyloxolan-3-yl)methyl]hydrazine
CID 105308429
(2,2-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone
CID 107186966
2-(1-ethylimidazol-2-yl)-2-oxoacetic acid
CID 66669024
3-cyclopentyl-1-(1-ethylimidazol-2-yl)propan-1-one
CID 114973036
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-ethylimidazol-2-yl)ethanone
CID 116588362
1-(1-ethylimidazol-2-yl)prop-2-en-1-one
CID 103453576
2-[cyclopropyl-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolane-3-carbonyl]amino]propanoic acid
CID 122067590

Frequently Asked Questions

What is the IUPAC name of (1-ethylimidazol-2-yl)-(2-methyloxolan-3-yl)methanone?
The IUPAC name of (1-ethylimidazol-2-yl)-(2-methyloxolan-3-yl)methanone (CID 114973031) is (1-ethylimidazol-2-yl)-(2-methyloxolan-3-yl)methanone.
What is the SMILES notation for (1-ethylimidazol-2-yl)-(2-methyloxolan-3-yl)methanone?
The canonical SMILES for (1-ethylimidazol-2-yl)-(2-methyloxolan-3-yl)methanone is CCn1ccnc1C(=O)C1CCOC1C.
What is the InChIKey of (1-ethylimidazol-2-yl)-(2-methyloxolan-3-yl)methanone?
The InChIKey is ZHCCHCAFMBJNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-13-6-5-12-11(13)10(14)9-4-7-15-8(9)2/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of (1-ethylimidazol-2-yl)-(2-methyloxolan-3-yl)methanone?
(1-ethylimidazol-2-yl)-(2-methyloxolan-3-yl)methanone has a molecular weight of 208.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylimidazol-2-yl)-(2-methyloxolan-3-yl)methanone is sourced from PubChem (CID 114973031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).