1-(2-ethenoxyethyl)-3-prop-2-enylimidazol-1-ium

C10H15N2O+ — CID 87121791

IUPAC1-(2-ethenoxyethyl)-3-prop-2-enylimidazol-1-ium
SMILESC=CCn1cc[n+](CCOC=C)c1
InChIInChI=1S/C10H15N2O/c1-3-5-11-6-7-12(10-11)8-9-13-4-2/h3-4,6-7,10H,1-2,5,8-9H2/q+1
InChIKeyWPYMTWNNDARJHI-UHFFFAOYSA-N
MW179.24 g/mol
LogP1.12
Rot. Bonds6

About 1-(2-ethenoxyethyl)-3-prop-2-enylimidazol-1-ium

1-(2-ethenoxyethyl)-3-prop-2-enylimidazol-1-ium (PubChem CID 87121791) has the molecular formula C10H15N2O+ and a molecular weight of 179.24 g/mol. Its IUPAC name is 1-(2-ethenoxyethyl)-3-prop-2-enylimidazol-1-ium.

Molecular Properties

Compound Name1-(2-ethenoxyethyl)-3-prop-2-enylimidazol-1-ium
PubChem CID87121791
Molecular FormulaC10H15N2O+
Molecular Weight179.24 g/mol
Exact Mass179.12
IUPAC Name1-(2-ethenoxyethyl)-3-prop-2-enylimidazol-1-ium
SMILESC=CCn1cc[n+](CCOC=C)c1
InChIInChI=1S/C10H15N2O/c1-3-5-11-6-7-12(10-11)8-9-13-4-2/h3-4,6-7,10H,1-2,5,8-9H2/q+1
InChIKeyWPYMTWNNDARJHI-UHFFFAOYSA-N
XLogP1.12
TPSA18.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-(2-ethenoxyethyl)-3-prop-2-enylimidazol-1-ium 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-(2-ethenoxyethyl)-3-prop-2-enylimidazol-1-ium?
The IUPAC name of 1-(2-ethenoxyethyl)-3-prop-2-enylimidazol-1-ium (CID 87121791) is 1-(2-ethenoxyethyl)-3-prop-2-enylimidazol-1-ium.
What is the SMILES notation for 1-(2-ethenoxyethyl)-3-prop-2-enylimidazol-1-ium?
The canonical SMILES for 1-(2-ethenoxyethyl)-3-prop-2-enylimidazol-1-ium is C=CCn1cc[n+](CCOC=C)c1.
What is the InChIKey of 1-(2-ethenoxyethyl)-3-prop-2-enylimidazol-1-ium?
The InChIKey is WPYMTWNNDARJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N2O/c1-3-5-11-6-7-12(10-11)8-9-13-4-2/h3-4,6-7,10H,1-2,5,8-9H2/q+1.
What are the key properties of 1-(2-ethenoxyethyl)-3-prop-2-enylimidazol-1-ium?
1-(2-ethenoxyethyl)-3-prop-2-enylimidazol-1-ium has a molecular weight of 179.24 g/mol, XLogP of 1.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenoxyethyl)-3-prop-2-enylimidazol-1-ium is sourced from PubChem (CID 87121791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).