(1-ethylimidazol-2-yl)-(2-methyloxan-2-yl)methanone

C12H18N2O2 — CID 80683731

IUPAC(1-ethylimidazol-2-yl)-(2-methyloxan-2-yl)methanone
SMILESCCn1ccnc1C(=O)C1(C)CCCCO1
InChIInChI=1S/C12H18N2O2/c1-3-14-8-7-13-11(14)10(15)12(2)6-4-5-9-16-12/h7-8H,3-6,9H2,1-2H3
InChIKeyXGZOAQUPEXUVGO-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.04
Rot. Bonds3

About (1-ethylimidazol-2-yl)-(2-methyloxan-2-yl)methanone

(1-ethylimidazol-2-yl)-(2-methyloxan-2-yl)methanone (PubChem CID 80683731) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (1-ethylimidazol-2-yl)-(2-methyloxan-2-yl)methanone.

Molecular Properties

Compound Name(1-ethylimidazol-2-yl)-(2-methyloxan-2-yl)methanone
PubChem CID80683731
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(1-ethylimidazol-2-yl)-(2-methyloxan-2-yl)methanone
SMILESCCn1ccnc1C(=O)C1(C)CCCCO1
InChIInChI=1S/C12H18N2O2/c1-3-14-8-7-13-11(14)10(15)12(2)6-4-5-9-16-12/h7-8H,3-6,9H2,1-2H3
InChIKeyXGZOAQUPEXUVGO-UHFFFAOYSA-N
XLogP2.04
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylimidazol-2-yl)-(2-methyloxan-2-yl)methanone
CID 80690249
(1-ethylcyclopentyl)-(1-ethylimidazol-2-yl)methanone
CID 114973020
(1-ethylimidazol-2-yl)-(1-methoxycyclopentyl)methanone
CID 104610250
(1-ethylimidazol-2-yl)-(2-methylthiolan-2-yl)methanone
CID 105101153
2-(1-aminocyclohexyl)-1-(1-ethylimidazol-2-yl)ethanone
CID 116579048
(1-ethoxy-4,4-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone
CID 116750075
(2,2-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone
CID 107186966
(1-ethylimidazol-2-yl)-(2-ethylpyrrolidin-2-yl)methanone
CID 116608218
cyclohepten-1-yl-(1-ethylimidazol-2-yl)methanone
CID 103450449
2-[1-(aminomethyl)cyclobutyl]-1-(1-ethylimidazol-2-yl)ethanone
CID 116599518
2-(1-ethylimidazol-2-yl)-2-oxoacetic acid
CID 66669024
1-(1-ethylimidazol-2-yl)-2-(oxolan-3-yl)ethanone
CID 103986228

Frequently Asked Questions

What is the IUPAC name of (1-ethylimidazol-2-yl)-(2-methyloxan-2-yl)methanone?
The IUPAC name of (1-ethylimidazol-2-yl)-(2-methyloxan-2-yl)methanone (CID 80683731) is (1-ethylimidazol-2-yl)-(2-methyloxan-2-yl)methanone.
What is the SMILES notation for (1-ethylimidazol-2-yl)-(2-methyloxan-2-yl)methanone?
The canonical SMILES for (1-ethylimidazol-2-yl)-(2-methyloxan-2-yl)methanone is CCn1ccnc1C(=O)C1(C)CCCCO1.
What is the InChIKey of (1-ethylimidazol-2-yl)-(2-methyloxan-2-yl)methanone?
The InChIKey is XGZOAQUPEXUVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-14-8-7-13-11(14)10(15)12(2)6-4-5-9-16-12/h7-8H,3-6,9H2,1-2H3.
What are the key properties of (1-ethylimidazol-2-yl)-(2-methyloxan-2-yl)methanone?
(1-ethylimidazol-2-yl)-(2-methyloxan-2-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 2.04, 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-methyloxan-2-yl)methanone is sourced from PubChem (CID 80683731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).