4-(2-methoxyethoxy)-1-(1-methylimidazol-2-yl)butan-2-one

C11H18N2O3 — CID 102927313

IUPAC4-(2-methoxyethoxy)-1-(1-methylimidazol-2-yl)butan-2-one
SMILESCOCCOCCC(=O)Cc1nccn1C
InChIInChI=1S/C11H18N2O3/c1-13-5-4-12-11(13)9-10(14)3-6-16-8-7-15-2/h4-5H,3,6-9H2,1-2H3
InChIKeyUCNHGAIUMKIOMU-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.58
Rot. Bonds8

About 4-(2-methoxyethoxy)-1-(1-methylimidazol-2-yl)butan-2-one

4-(2-methoxyethoxy)-1-(1-methylimidazol-2-yl)butan-2-one (PubChem CID 102927313) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-1-(1-methylimidazol-2-yl)butan-2-one.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-1-(1-methylimidazol-2-yl)butan-2-one
PubChem CID102927313
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name4-(2-methoxyethoxy)-1-(1-methylimidazol-2-yl)butan-2-one
SMILESCOCCOCCC(=O)Cc1nccn1C
InChIInChI=1S/C11H18N2O3/c1-13-5-4-12-11(13)9-10(14)3-6-16-8-7-15-2/h4-5H,3,6-9H2,1-2H3
InChIKeyUCNHGAIUMKIOMU-UHFFFAOYSA-N
XLogP0.58
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyethoxy)-5-(1-methylimidazol-2-yl)pentan-3-one
CID 102927322
1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-one
CID 79743912
1-(1-methylimidazol-2-yl)heptan-2-one
CID 115580314
4-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one
CID 103023359
3-amino-4-methoxy-1-(1-methylimidazol-2-yl)butan-2-one
CID 116594114
1-(1-methylimidazol-2-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-one
CID 105116272
7-amino-5,5-dimethyl-1-(1-methylimidazol-2-yl)heptan-2-one
CID 116574886
7-amino-5-methyl-1-(1-methylimidazol-2-yl)heptan-2-one
CID 116581679
hydron;2-(1-methylimidazol-2-yl)acetic acid;hexafluorophosphate
CID 174920085
N-[2-(2-methoxyethoxy)ethyl]-1-methylimidazol-2-amine
CID 62133824
1-tert-butylsulfanyl-3-(1-methylimidazol-2-yl)propan-2-one
CID 79743927
1-(1-methylimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one
CID 79743827

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-1-(1-methylimidazol-2-yl)butan-2-one?
The IUPAC name of 4-(2-methoxyethoxy)-1-(1-methylimidazol-2-yl)butan-2-one (CID 102927313) is 4-(2-methoxyethoxy)-1-(1-methylimidazol-2-yl)butan-2-one.
What is the SMILES notation for 4-(2-methoxyethoxy)-1-(1-methylimidazol-2-yl)butan-2-one?
The canonical SMILES for 4-(2-methoxyethoxy)-1-(1-methylimidazol-2-yl)butan-2-one is COCCOCCC(=O)Cc1nccn1C.
What is the InChIKey of 4-(2-methoxyethoxy)-1-(1-methylimidazol-2-yl)butan-2-one?
The InChIKey is UCNHGAIUMKIOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-13-5-4-12-11(13)9-10(14)3-6-16-8-7-15-2/h4-5H,3,6-9H2,1-2H3.
What are the key properties of 4-(2-methoxyethoxy)-1-(1-methylimidazol-2-yl)butan-2-one?
4-(2-methoxyethoxy)-1-(1-methylimidazol-2-yl)butan-2-one has a molecular weight of 226.28 g/mol, XLogP of 0.58, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-1-(1-methylimidazol-2-yl)butan-2-one is sourced from PubChem (CID 102927313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).