1-Methyl-1-prop-2-enylimidazol-1-ium

C7H11N2+ — CID 23042760

IUPAC1-methyl-1-prop-2-enylimidazol-1-ium
SMILESC[N+]1(C=CN=C1)CC=C
InChIInChI=1S/C7H11N2/c1-3-5-9(2)6-4-8-7-9/h3-4,6-7H,1,5H2,2H3/q+1
InChIKeyVCBJWFAHIMQJCV-UHFFFAOYSA-N
MW123.18 g/mol
LogP0.60
Rot. Bonds2

About 1-Methyl-1-prop-2-enylimidazol-1-ium

1-Methyl-1-prop-2-enylimidazol-1-ium (PubChem CID 23042760) has the molecular formula C7H11N2+ and a molecular weight of 123.18 g/mol. Its IUPAC name is 1-methyl-1-prop-2-enylimidazol-1-ium.

Molecular Properties

Compound Name1-Methyl-1-prop-2-enylimidazol-1-ium
PubChem CID23042760
Molecular FormulaC7H11N2+
Molecular Weight123.18 g/mol
Exact Mass123.09
IUPAC Name1-methyl-1-prop-2-enylimidazol-1-ium
SMILESC[N+]1(C=CN=C1)CC=C
InChIInChI=1S/C7H11N2/c1-3-5-9(2)6-4-8-7-9/h3-4,6-7H,1,5H2,2H3/q+1
InChIKeyVCBJWFAHIMQJCV-UHFFFAOYSA-N
XLogP0.60
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity170

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.18
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1-Methyl-1-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

Related Compounds

3-Methyl-3,4-dihydropyrimidine
CID 19788969
1-Methyl-6-methylidene-1,6-dihydropyrimidine
CID 57831095
N,N-dimethyl-N'-[(E)-prop-1-enyl]-methanimidamide
CID 24976956
1-Ethyl-1-methylimidazol-1-ium
CID 14324719
1-Ethenyl-1-ethylimidazol-1-ium
CID 17778815
1-methyl-4H-pyrimidine
CID 19759614
3-propan-2-yl-4H-pyrimidine
CID 20641795
3,4-dimethyl-4H-pyrimidine
CID 20728183
N,1,3-trimethyl-4H-pyrimidin-2-imine
CID 21134148
1-Methyl-1-propylimidazol-1-ium
CID 21658746
3-prop-2-enyl-4H-pyrimidine
CID 22448489
1,3-diethyl-4H-pyrimidin-3-ium
CID 23148547

Frequently Asked Questions

What is the IUPAC name of 1-Methyl-1-prop-2-enylimidazol-1-ium?
The IUPAC name of 1-Methyl-1-prop-2-enylimidazol-1-ium (CID 23042760) is 1-methyl-1-prop-2-enylimidazol-1-ium.
What is the SMILES notation for 1-Methyl-1-prop-2-enylimidazol-1-ium?
The canonical SMILES for 1-Methyl-1-prop-2-enylimidazol-1-ium is C[N+]1(C=CN=C1)CC=C.
What is the InChIKey of 1-Methyl-1-prop-2-enylimidazol-1-ium?
The InChIKey is VCBJWFAHIMQJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N2/c1-3-5-9(2)6-4-8-7-9/h3-4,6-7H,1,5H2,2H3/q+1.
What are the key properties of 1-Methyl-1-prop-2-enylimidazol-1-ium?
1-Methyl-1-prop-2-enylimidazol-1-ium has a molecular weight of 123.18 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Methyl-1-prop-2-enylimidazol-1-ium is sourced from PubChem (CID 23042760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).