(1-ethyl-3-methyl-2H-imidazol-2-yl) propanoate

C9H16N2O2 — CID 66707254

IUPAC(1-ethyl-3-methyl-2H-imidazol-2-yl) propanoate
SMILESCCC(=O)OC1N(C)C=CN1CC
InChIInChI=1S/C9H16N2O2/c1-4-8(12)13-9-10(3)6-7-11(9)5-2/h6-7,9H,4-5H2,1-3H3
InChIKeyGTXHAZASGQLWCC-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.96
Rot. Bonds3

About (1-ethyl-3-methyl-2H-imidazol-2-yl) propanoate

(1-ethyl-3-methyl-2H-imidazol-2-yl) propanoate (PubChem CID 66707254) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (1-ethyl-3-methyl-2H-imidazol-2-yl) propanoate.

Molecular Properties

Compound Name(1-ethyl-3-methyl-2H-imidazol-2-yl) propanoate
PubChem CID66707254
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(1-ethyl-3-methyl-2H-imidazol-2-yl) propanoate
SMILESCCC(=O)OC1N(C)C=CN1CC
InChIInChI=1S/C9H16N2O2/c1-4-8(12)13-9-10(3)6-7-11(9)5-2/h6-7,9H,4-5H2,1-3H3
InChIKeyGTXHAZASGQLWCC-UHFFFAOYSA-N
XLogP0.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-ethyl-3-methyl-2H-imidazol-2-yl) propanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3-methyl-2H-imidazol-2-yl) propanoate?
The IUPAC name of (1-ethyl-3-methyl-2H-imidazol-2-yl) propanoate (CID 66707254) is (1-ethyl-3-methyl-2H-imidazol-2-yl) propanoate.
What is the SMILES notation for (1-ethyl-3-methyl-2H-imidazol-2-yl) propanoate?
The canonical SMILES for (1-ethyl-3-methyl-2H-imidazol-2-yl) propanoate is CCC(=O)OC1N(C)C=CN1CC.
What is the InChIKey of (1-ethyl-3-methyl-2H-imidazol-2-yl) propanoate?
The InChIKey is GTXHAZASGQLWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-8(12)13-9-10(3)6-7-11(9)5-2/h6-7,9H,4-5H2,1-3H3.
What are the key properties of (1-ethyl-3-methyl-2H-imidazol-2-yl) propanoate?
(1-ethyl-3-methyl-2H-imidazol-2-yl) propanoate has a molecular weight of 184.24 g/mol, XLogP of 0.96, 3 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-imidazol-2-yl) propanoate is sourced from PubChem (CID 66707254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).