5-(1-ethylimidazol-2-yl)-4-methylpentan-2-one

C11H18N2O — CID 79760691

IUPAC5-(1-ethylimidazol-2-yl)-4-methylpentan-2-one
SMILESCCn1ccnc1CC(C)CC(C)=O
InChIInChI=1S/C11H18N2O/c1-4-13-6-5-12-11(13)8-9(2)7-10(3)14/h5-6,9H,4,7-8H2,1-3H3
InChIKeyGFUIRUGUBXRWEV-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.06
Rot. Bonds5

About 5-(1-ethylimidazol-2-yl)-4-methylpentan-2-one

5-(1-ethylimidazol-2-yl)-4-methylpentan-2-one (PubChem CID 79760691) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-(1-ethylimidazol-2-yl)-4-methylpentan-2-one.

Molecular Properties

Compound Name5-(1-ethylimidazol-2-yl)-4-methylpentan-2-one
PubChem CID79760691
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name5-(1-ethylimidazol-2-yl)-4-methylpentan-2-one
SMILESCCn1ccnc1CC(C)CC(C)=O
InChIInChI=1S/C11H18N2O/c1-4-13-6-5-12-11(13)8-9(2)7-10(3)14/h5-6,9H,4,7-8H2,1-3H3
InChIKeyGFUIRUGUBXRWEV-UHFFFAOYSA-N
XLogP2.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine
CID 64666437
3-(1-ethylimidazol-2-yl)-2-hydroxypropanoic acid
CID 79744530
(2R)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 92763393
1-(1-ethylimidazol-2-yl)-3-methylpentan-2-ol
CID 79744876
1-(1-ethylimidazol-2-yl)-3,4-dimethylpentan-2-one
CID 115783502
ethyl 2-[(1-ethylimidazol-2-yl)methyl]pentanoate
CID 83043651
1-(1-ethylimidazol-2-yl)-3-(methylamino)butan-2-one
CID 116564884
1-(1-ethylimidazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
CID 103312573
2-(1-ethylimidazol-2-yl)-1-(3-methylimidazol-4-yl)ethanol
CID 79744158
2-(1-ethylimidazol-2-yl)-1-(thiadiazol-4-yl)ethanol
CID 105112314
[1-(1-ethylimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine
CID 105226285
1-ethyl-2-(iodomethyl)imidazole
CID 64786618

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylimidazol-2-yl)-4-methylpentan-2-one?
The IUPAC name of 5-(1-ethylimidazol-2-yl)-4-methylpentan-2-one (CID 79760691) is 5-(1-ethylimidazol-2-yl)-4-methylpentan-2-one.
What is the SMILES notation for 5-(1-ethylimidazol-2-yl)-4-methylpentan-2-one?
The canonical SMILES for 5-(1-ethylimidazol-2-yl)-4-methylpentan-2-one is CCn1ccnc1CC(C)CC(C)=O.
What is the InChIKey of 5-(1-ethylimidazol-2-yl)-4-methylpentan-2-one?
The InChIKey is GFUIRUGUBXRWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-13-6-5-12-11(13)8-9(2)7-10(3)14/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of 5-(1-ethylimidazol-2-yl)-4-methylpentan-2-one?
5-(1-ethylimidazol-2-yl)-4-methylpentan-2-one has a molecular weight of 194.28 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylimidazol-2-yl)-4-methylpentan-2-one is sourced from PubChem (CID 79760691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).