1-cyclobutyl-2-(1-ethylimidazol-2-yl)ethanone

C11H16N2O — CID 79744561

IUPAC1-cyclobutyl-2-(1-ethylimidazol-2-yl)ethanone
SMILESCCn1ccnc1CC(=O)C1CCC1
InChIInChI=1S/C11H16N2O/c1-2-13-7-6-12-11(13)8-10(14)9-4-3-5-9/h6-7,9H,2-5,8H2,1H3
InChIKeyNSDSXPBXYCQRSD-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.81
Rot. Bonds4

About 1-cyclobutyl-2-(1-ethylimidazol-2-yl)ethanone

1-cyclobutyl-2-(1-ethylimidazol-2-yl)ethanone (PubChem CID 79744561) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-cyclobutyl-2-(1-ethylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-cyclobutyl-2-(1-ethylimidazol-2-yl)ethanone
PubChem CID79744561
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-cyclobutyl-2-(1-ethylimidazol-2-yl)ethanone
SMILESCCn1ccnc1CC(=O)C1CCC1
InChIInChI=1S/C11H16N2O/c1-2-13-7-6-12-11(13)8-10(14)9-4-3-5-9/h6-7,9H,2-5,8H2,1H3
InChIKeyNSDSXPBXYCQRSD-UHFFFAOYSA-N
XLogP1.81
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744289
2-(1-ethylimidazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 105115224
1-(4,4-difluorocyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 105115196
1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783536
1-(4-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783452
1-[2-(aminomethyl)cyclopentyl]-2-(1-ethylimidazol-2-yl)ethanone
CID 116584210
1-cyclopentyl-2-(2-ethylimidazol-1-yl)ethanone
CID 115769665
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79970332
1-cyclopropyl-3-(1-ethylimidazol-2-yl)-1-hydroxypropan-2-one
CID 103455919
1-(1,4-dimethylpiperazin-2-yl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744941
1-(1,4-dithian-2-yl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79972065
1-(1-aminocyclobutyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 116598354

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(1-ethylimidazol-2-yl)ethanone?
The IUPAC name of 1-cyclobutyl-2-(1-ethylimidazol-2-yl)ethanone (CID 79744561) is 1-cyclobutyl-2-(1-ethylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-cyclobutyl-2-(1-ethylimidazol-2-yl)ethanone?
The canonical SMILES for 1-cyclobutyl-2-(1-ethylimidazol-2-yl)ethanone is CCn1ccnc1CC(=O)C1CCC1.
What is the InChIKey of 1-cyclobutyl-2-(1-ethylimidazol-2-yl)ethanone?
The InChIKey is NSDSXPBXYCQRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-13-7-6-12-11(13)8-10(14)9-4-3-5-9/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 1-cyclobutyl-2-(1-ethylimidazol-2-yl)ethanone?
1-cyclobutyl-2-(1-ethylimidazol-2-yl)ethanone has a molecular weight of 192.26 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(1-ethylimidazol-2-yl)ethanone is sourced from PubChem (CID 79744561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).