3-cyclopentyl-1-(1-ethylimidazol-2-yl)propan-1-one

C13H20N2O — CID 114973036

IUPAC3-cyclopentyl-1-(1-ethylimidazol-2-yl)propan-1-one
SMILESCCn1ccnc1C(=O)CCC1CCCC1
InChIInChI=1S/C13H20N2O/c1-2-15-10-9-14-13(15)12(16)8-7-11-5-3-4-6-11/h9-11H,2-8H2,1H3
InChIKeyIVEOWZFKYKHOBV-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.06
Rot. Bonds5

About 3-cyclopentyl-1-(1-ethylimidazol-2-yl)propan-1-one

3-cyclopentyl-1-(1-ethylimidazol-2-yl)propan-1-one (PubChem CID 114973036) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-cyclopentyl-1-(1-ethylimidazol-2-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-(1-ethylimidazol-2-yl)propan-1-one
PubChem CID114973036
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-cyclopentyl-1-(1-ethylimidazol-2-yl)propan-1-one
SMILESCCn1ccnc1C(=O)CCC1CCCC1
InChIInChI=1S/C13H20N2O/c1-2-15-10-9-14-13(15)12(16)8-7-11-5-3-4-6-11/h9-11H,2-8H2,1H3
InChIKeyIVEOWZFKYKHOBV-UHFFFAOYSA-N
XLogP3.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylimidazol-2-yl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606043
4-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one
CID 116571399
3-cyclohexyl-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 45284187
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-ethylimidazol-2-yl)ethanone
CID 116588362
1-(1-ethylimidazol-2-yl)-3-(methylamino)propan-1-one
CID 116561163
1-(1-ethylimidazol-2-yl)-2-(oxolan-3-yl)ethanone
CID 103986228
3-cyclohexyl-1-(1-ethylpyrazol-4-yl)propan-1-one
CID 114964350
2-cyclohexyl-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 55064443
5-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one
CID 116607603
2-(1-aminocyclohexyl)-1-(1-ethylimidazol-2-yl)ethanone
CID 116579048
(2,2-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone
CID 107186966
1-(4-bromo-1-ethylpyrazol-5-yl)-3-cyclohexylpropan-1-one
CID 115803375

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(1-ethylimidazol-2-yl)propan-1-one?
The IUPAC name of 3-cyclopentyl-1-(1-ethylimidazol-2-yl)propan-1-one (CID 114973036) is 3-cyclopentyl-1-(1-ethylimidazol-2-yl)propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-(1-ethylimidazol-2-yl)propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-(1-ethylimidazol-2-yl)propan-1-one is CCn1ccnc1C(=O)CCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-1-(1-ethylimidazol-2-yl)propan-1-one?
The InChIKey is IVEOWZFKYKHOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-15-10-9-14-13(15)12(16)8-7-11-5-3-4-6-11/h9-11H,2-8H2,1H3.
What are the key properties of 3-cyclopentyl-1-(1-ethylimidazol-2-yl)propan-1-one?
3-cyclopentyl-1-(1-ethylimidazol-2-yl)propan-1-one has a molecular weight of 220.32 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(1-ethylimidazol-2-yl)propan-1-one is sourced from PubChem (CID 114973036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).