1-(2-methoxyethoxy)-5-(1-methylimidazol-2-yl)pentan-3-one

C12H20N2O3 — CID 102927322

IUPAC1-(2-methoxyethoxy)-5-(1-methylimidazol-2-yl)pentan-3-one
SMILESCOCCOCCC(=O)CCc1nccn1C
InChIInChI=1S/C12H20N2O3/c1-14-7-6-13-12(14)4-3-11(15)5-8-17-10-9-16-2/h6-7H,3-5,8-10H2,1-2H3
InChIKeyWWWGWRXKDTZPFH-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.97
Rot. Bonds9

About 1-(2-methoxyethoxy)-5-(1-methylimidazol-2-yl)pentan-3-one

1-(2-methoxyethoxy)-5-(1-methylimidazol-2-yl)pentan-3-one (PubChem CID 102927322) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-5-(1-methylimidazol-2-yl)pentan-3-one.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-5-(1-methylimidazol-2-yl)pentan-3-one
PubChem CID102927322
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-(2-methoxyethoxy)-5-(1-methylimidazol-2-yl)pentan-3-one
SMILESCOCCOCCC(=O)CCc1nccn1C
InChIInChI=1S/C12H20N2O3/c1-14-7-6-13-12(14)4-3-11(15)5-8-17-10-9-16-2/h6-7H,3-5,8-10H2,1-2H3
InChIKeyWWWGWRXKDTZPFH-UHFFFAOYSA-N
XLogP0.97
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.97
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

4-(2-methoxyethoxy)-1-(1-methylimidazol-2-yl)butan-2-one
CID 102927313
6-hydroxy-1-(1-methylimidazol-2-yl)hexan-3-one
CID 106677652
1-(1-methylimidazol-2-yl)-5-(4-methylphenyl)pentan-3-one
CID 105133851
1-(2-methoxyethoxy)-N-methyl-5-(1-methylimidazol-2-yl)pentan-3-amine
CID 102928065
1-(1-methylimidazol-2-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pentan-3-one
CID 105133788
2-[2-(1-methylimidazol-2-yl)ethoxy]ethanol
CID 90045312
1-(1-methylimidazol-2-yl)heptan-4-one
CID 79761318
4-ethyl-4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-one
CID 114529670
4-hydroxy-1-(1-methylimidazol-2-yl)pentan-3-one
CID 103451481
1-(3-aminophenyl)-5-(1-methylimidazol-2-yl)pentan-3-one
CID 114533349
N-[2-(3-methoxypropoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 103178855
1-(2-chlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-one
CID 114529460

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-5-(1-methylimidazol-2-yl)pentan-3-one?
The IUPAC name of 1-(2-methoxyethoxy)-5-(1-methylimidazol-2-yl)pentan-3-one (CID 102927322) is 1-(2-methoxyethoxy)-5-(1-methylimidazol-2-yl)pentan-3-one.
What is the SMILES notation for 1-(2-methoxyethoxy)-5-(1-methylimidazol-2-yl)pentan-3-one?
The canonical SMILES for 1-(2-methoxyethoxy)-5-(1-methylimidazol-2-yl)pentan-3-one is COCCOCCC(=O)CCc1nccn1C.
What is the InChIKey of 1-(2-methoxyethoxy)-5-(1-methylimidazol-2-yl)pentan-3-one?
The InChIKey is WWWGWRXKDTZPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-14-7-6-13-12(14)4-3-11(15)5-8-17-10-9-16-2/h6-7H,3-5,8-10H2,1-2H3.
What are the key properties of 1-(2-methoxyethoxy)-5-(1-methylimidazol-2-yl)pentan-3-one?
1-(2-methoxyethoxy)-5-(1-methylimidazol-2-yl)pentan-3-one has a molecular weight of 240.30 g/mol, XLogP of 0.97, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-5-(1-methylimidazol-2-yl)pentan-3-one is sourced from PubChem (CID 102927322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).