1-(2-ethylazetidin-1-yl)-3-(1H-imidazol-5-yl)propan-1-one

C11H17N3O — CID 138999835

IUPAC1-(2-ethylazetidin-1-yl)-3-(1H-imidazol-5-yl)propan-1-one
SMILESCCC1CCN1C(=O)CCc1cnc[nH]1
InChIInChI=1S/C11H17N3O/c1-2-10-5-6-14(10)11(15)4-3-9-7-12-8-13-9/h7-8,10H,2-6H2,1H3,(H,12,13)
InChIKeyFVJCSWPCTSIMQI-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.35
Rot. Bonds4

About 1-(2-ethylazetidin-1-yl)-3-(1H-imidazol-5-yl)propan-1-one

1-(2-ethylazetidin-1-yl)-3-(1H-imidazol-5-yl)propan-1-one (PubChem CID 138999835) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(2-ethylazetidin-1-yl)-3-(1H-imidazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-ethylazetidin-1-yl)-3-(1H-imidazol-5-yl)propan-1-one
PubChem CID138999835
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(2-ethylazetidin-1-yl)-3-(1H-imidazol-5-yl)propan-1-one
SMILESCCC1CCN1C(=O)CCc1cnc[nH]1
InChIInChI=1S/C11H17N3O/c1-2-10-5-6-14(10)11(15)4-3-9-7-12-8-13-9/h7-8,10H,2-6H2,1H3,(H,12,13)
InChIKeyFVJCSWPCTSIMQI-UHFFFAOYSA-N
XLogP1.35
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S,4R)-3,4-dimethoxypyrrolidin-1-yl]-3-(1H-imidazol-5-yl)propan-1-one
CID 136581475
3-(1H-imidazol-5-yl)-1-piperidin-1-ylpropan-1-one
CID 110697826
ethyl 1-[3-(1H-imidazol-5-yl)propanoyl]piperidine-3-carboxylate
CID 110697880
2-[(2-ethylpyrrolidine-1-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 61209208
ethyl 4-(1H-imidazol-5-yl)-2-oxobutanoate
CID 70557338
1-[(1R)-1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1H-imidazol-5-yl)propan-1-one
CID 124621445
(2R)-2-[(2-ethylpiperidine-1-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104894982
3-(1H-imidazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 110697892
3-(1H-imidazol-5-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 110697885
2-(1H-imidazol-5-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110684132
octyl 3-(1H-imidazol-5-yl)propanoate
CID 25133716
methyl 2-[[2-[(2-cyanophenyl)methyl-[[(2S)-1-[3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]methyl]amino]acetyl]amino]-4-methylsulfanylbutanoate
CID 67587392

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylazetidin-1-yl)-3-(1H-imidazol-5-yl)propan-1-one?
The IUPAC name of 1-(2-ethylazetidin-1-yl)-3-(1H-imidazol-5-yl)propan-1-one (CID 138999835) is 1-(2-ethylazetidin-1-yl)-3-(1H-imidazol-5-yl)propan-1-one.
What is the SMILES notation for 1-(2-ethylazetidin-1-yl)-3-(1H-imidazol-5-yl)propan-1-one?
The canonical SMILES for 1-(2-ethylazetidin-1-yl)-3-(1H-imidazol-5-yl)propan-1-one is CCC1CCN1C(=O)CCc1cnc[nH]1.
What is the InChIKey of 1-(2-ethylazetidin-1-yl)-3-(1H-imidazol-5-yl)propan-1-one?
The InChIKey is FVJCSWPCTSIMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-10-5-6-14(10)11(15)4-3-9-7-12-8-13-9/h7-8,10H,2-6H2,1H3,(H,12,13).
What are the key properties of 1-(2-ethylazetidin-1-yl)-3-(1H-imidazol-5-yl)propan-1-one?
1-(2-ethylazetidin-1-yl)-3-(1H-imidazol-5-yl)propan-1-one has a molecular weight of 207.28 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylazetidin-1-yl)-3-(1H-imidazol-5-yl)propan-1-one is sourced from PubChem (CID 138999835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).