chloromethane;1-ethenyl-1H-imidazol-1-ium

C6H10ClN2+ — CID 22046098

IUPACchloromethane;1-ethenyl-1H-imidazol-1-ium
SMILESC=C[NH+]1C=CN=C1.CCl
InChIInChI=1S/C5H6N2.CH3Cl/c1-2-7-4-3-6-5-7;1-2/h2-5H,1H2;1H3/p+1
InChIKeyJJHXBHDPYFGKLE-UHFFFAOYSA-O
MW145.61 g/mol
LogP0.38
Rot. Bonds1

About chloromethane;1-ethenyl-1H-imidazol-1-ium

chloromethane;1-ethenyl-1H-imidazol-1-ium (PubChem CID 22046098) has the molecular formula C6H10ClN2+ and a molecular weight of 145.61 g/mol. Its IUPAC name is chloromethane;1-ethenyl-1H-imidazol-1-ium.

Molecular Properties

Compound Namechloromethane;1-ethenyl-1H-imidazol-1-ium
PubChem CID22046098
Molecular FormulaC6H10ClN2+
Molecular Weight145.61 g/mol
Exact Mass145.05
IUPAC Namechloromethane;1-ethenyl-1H-imidazol-1-ium
SMILESC=C[NH+]1C=CN=C1.CCl
InChIInChI=1S/C5H6N2.CH3Cl/c1-2-7-4-3-6-5-7;1-2/h2-5H,1H2;1H3/p+1
InChIKeyJJHXBHDPYFGKLE-UHFFFAOYSA-O
XLogP0.38
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.61
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloromethane;1-ethenyl-1H-imidazol-1-ium?
The IUPAC name of chloromethane;1-ethenyl-1H-imidazol-1-ium (CID 22046098) is chloromethane;1-ethenyl-1H-imidazol-1-ium.
What is the SMILES notation for chloromethane;1-ethenyl-1H-imidazol-1-ium?
The canonical SMILES for chloromethane;1-ethenyl-1H-imidazol-1-ium is C=C[NH+]1C=CN=C1.CCl.
What is the InChIKey of chloromethane;1-ethenyl-1H-imidazol-1-ium?
The InChIKey is JJHXBHDPYFGKLE-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H6N2.CH3Cl/c1-2-7-4-3-6-5-7;1-2/h2-5H,1H2;1H3/p+1.
What are the key properties of chloromethane;1-ethenyl-1H-imidazol-1-ium?
chloromethane;1-ethenyl-1H-imidazol-1-ium has a molecular weight of 145.61 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;1-ethenyl-1H-imidazol-1-ium is sourced from PubChem (CID 22046098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).