1-cyclopropyl-3-(1-ethylimidazol-2-yl)-1-hydroxypropan-2-one

C11H16N2O2 — CID 103455919

IUPAC1-cyclopropyl-3-(1-ethylimidazol-2-yl)-1-hydroxypropan-2-one
SMILESCCn1ccnc1CC(=O)C(O)C1CC1
InChIInChI=1S/C11H16N2O2/c1-2-13-6-5-12-10(13)7-9(14)11(15)8-3-4-8/h5-6,8,11,15H,2-4,7H2,1H3
InChIKeyLCMIVWMQBFBOPC-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.79
Rot. Bonds5

About 1-cyclopropyl-3-(1-ethylimidazol-2-yl)-1-hydroxypropan-2-one

1-cyclopropyl-3-(1-ethylimidazol-2-yl)-1-hydroxypropan-2-one (PubChem CID 103455919) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-cyclopropyl-3-(1-ethylimidazol-2-yl)-1-hydroxypropan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(1-ethylimidazol-2-yl)-1-hydroxypropan-2-one
PubChem CID103455919
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-cyclopropyl-3-(1-ethylimidazol-2-yl)-1-hydroxypropan-2-one
SMILESCCn1ccnc1CC(=O)C(O)C1CC1
InChIInChI=1S/C11H16N2O2/c1-2-13-6-5-12-10(13)7-9(14)11(15)8-3-4-8/h5-6,8,11,15H,2-4,7H2,1H3
InChIKeyLCMIVWMQBFBOPC-UHFFFAOYSA-N
XLogP0.79
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylimidazol-2-yl)-3,4-dimethylpentan-2-one
CID 115783502
1-cyclobutyl-2-(1-ethylimidazol-2-yl)ethanone
CID 79744561
1-(1-ethylimidazol-2-yl)-3-(methylamino)butan-2-one
CID 116564884
2-(1-ethylimidazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 105115224
1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744289
1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783536
1-cyclopropyl-1-hydroxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-one
CID 103455915
1-(4,4-difluorocyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 105115196
1-cyclopropyl-2-(1-ethylimidazol-2-yl)ethane-1,2-diol
CID 103456993
2-(1-ethylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanol
CID 79752753
3-(1-ethylimidazol-2-yl)-2-hydroxypropanoic acid
CID 79744530
3-hydroxy-1-(1-propylimidazol-2-yl)pentan-2-one
CID 103452891

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(1-ethylimidazol-2-yl)-1-hydroxypropan-2-one?
The IUPAC name of 1-cyclopropyl-3-(1-ethylimidazol-2-yl)-1-hydroxypropan-2-one (CID 103455919) is 1-cyclopropyl-3-(1-ethylimidazol-2-yl)-1-hydroxypropan-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(1-ethylimidazol-2-yl)-1-hydroxypropan-2-one?
The canonical SMILES for 1-cyclopropyl-3-(1-ethylimidazol-2-yl)-1-hydroxypropan-2-one is CCn1ccnc1CC(=O)C(O)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(1-ethylimidazol-2-yl)-1-hydroxypropan-2-one?
The InChIKey is LCMIVWMQBFBOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-13-6-5-12-10(13)7-9(14)11(15)8-3-4-8/h5-6,8,11,15H,2-4,7H2,1H3.
What are the key properties of 1-cyclopropyl-3-(1-ethylimidazol-2-yl)-1-hydroxypropan-2-one?
1-cyclopropyl-3-(1-ethylimidazol-2-yl)-1-hydroxypropan-2-one has a molecular weight of 208.26 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(1-ethylimidazol-2-yl)-1-hydroxypropan-2-one is sourced from PubChem (CID 103455919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).