1-ethyl-3-methyl-2H-imidazole;propanoate

C9H17N2O2- — CID 162288775

IUPAC1-ethyl-3-methyl-2H-imidazole;propanoate
SMILESCCC(=O)[O-].CCN1C=CN(C)C1
InChIInChI=1S/C6H12N2.C3H6O2/c1-3-8-5-4-7(2)6-8;1-2-3(4)5/h4-5H,3,6H2,1-2H3;2H2,1H3,(H,4,5)/p-1
InChIKeyCOHWYJJSFATWSW-UHFFFAOYSA-M
MW185.25 g/mol
LogP-0.17
Rot. Bonds2

About 1-ethyl-3-methyl-2H-imidazole;propanoate

1-ethyl-3-methyl-2H-imidazole;propanoate (PubChem CID 162288775) has the molecular formula C9H17N2O2- and a molecular weight of 185.25 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2H-imidazole;propanoate.

Molecular Properties

Compound Name1-ethyl-3-methyl-2H-imidazole;propanoate
PubChem CID162288775
Molecular FormulaC9H17N2O2-
Molecular Weight185.25 g/mol
Exact Mass185.13
IUPAC Name1-ethyl-3-methyl-2H-imidazole;propanoate
SMILESCCC(=O)[O-].CCN1C=CN(C)C1
InChIInChI=1S/C6H12N2.C3H6O2/c1-3-8-5-4-7(2)6-8;1-2-3(4)5/h4-5H,3,6H2,1-2H3;2H2,1H3,(H,4,5)/p-1
InChIKeyCOHWYJJSFATWSW-UHFFFAOYSA-M
XLogP-0.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-3-methyl-2H-imidazole;propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetic acid;1-ethyl-3-methyl-2H-imidazole;hydrochloride
CID 172844057
1-ethyl-3-methyl-2H-imidazole;phosphoric acid
CID 135221908
1-ethyl-3-methyl-2H-imidazole formate
CID 162292973
cobalt;1-ethyl-3-methyl-2H-imidazole;methanone
CID 174605686
alumane;1-ethyl-3-methyl-2H-imidazole;hydrochloride
CID 174780208
1-hexyl-3-methyl-2H-imidazole acetate
CID 162278554
1-ethyl-3-methyl-2H-imidazole;bis(trifluoroborane)
CID 175554894
benzoic acid;1-ethyl-3-methyl-2H-imidazole
CID 171377191
potassium;1-ethyl-3-methyl-2H-imidazole;hexafluorophosphate
CID 174903378
azanium;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate
CID 174106655
difluoroazanide;1-ethyl-3-methyl-2H-imidazole;bis(sulfur dioxide)
CID 160727359
dodecanoic acid;1-ethyl-3-methyl-2H-imidazole
CID 158130199

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-2H-imidazole;propanoate?
The IUPAC name of 1-ethyl-3-methyl-2H-imidazole;propanoate (CID 162288775) is 1-ethyl-3-methyl-2H-imidazole;propanoate.
What is the SMILES notation for 1-ethyl-3-methyl-2H-imidazole;propanoate?
The canonical SMILES for 1-ethyl-3-methyl-2H-imidazole;propanoate is CCC(=O)[O-].CCN1C=CN(C)C1.
What is the InChIKey of 1-ethyl-3-methyl-2H-imidazole;propanoate?
The InChIKey is COHWYJJSFATWSW-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H12N2.C3H6O2/c1-3-8-5-4-7(2)6-8;1-2-3(4)5/h4-5H,3,6H2,1-2H3;2H2,1H3,(H,4,5)/p-1.
What are the key properties of 1-ethyl-3-methyl-2H-imidazole;propanoate?
1-ethyl-3-methyl-2H-imidazole;propanoate has a molecular weight of 185.25 g/mol, XLogP of -0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-2H-imidazole;propanoate is sourced from PubChem (CID 162288775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).