1-prop-1-enyl-1H-imidazol-1-ium chloride

C6H9ClN2 — CID 86617951

IUPAC1-prop-1-enyl-1H-imidazol-1-ium chloride
SMILESCC=C[NH+]1C=CN=C1.[Cl-]
InChIInChI=1S/C6H8N2.ClH/c1-2-4-8-5-3-7-6-8;/h2-6H,1H3;1H
InChIKeyGGZKJFGVSZKFLD-UHFFFAOYSA-N
MW144.60 g/mol
LogP-3.08
Rot. Bonds1

About 1-prop-1-enyl-1H-imidazol-1-ium chloride

1-prop-1-enyl-1H-imidazol-1-ium chloride (PubChem CID 86617951) has the molecular formula C6H9ClN2 and a molecular weight of 144.60 g/mol. Its IUPAC name is 1-prop-1-enyl-1H-imidazol-1-ium chloride.

Molecular Properties

Compound Name1-prop-1-enyl-1H-imidazol-1-ium chloride
PubChem CID86617951
Molecular FormulaC6H9ClN2
Molecular Weight144.60 g/mol
Exact Mass144.05
IUPAC Name1-prop-1-enyl-1H-imidazol-1-ium chloride
SMILESCC=C[NH+]1C=CN=C1.[Cl-]
InChIInChI=1S/C6H8N2.ClH/c1-2-4-8-5-3-7-6-8;/h2-6H,1H3;1H
InChIKeyGGZKJFGVSZKFLD-UHFFFAOYSA-N
XLogP-3.08
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 5-3.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Allylimidazolium chloride
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4-methyl-1H-imidazol-1-ium chloride
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1-methyl-1H-imidazol-1-ium
CID 59438645
N,N-dimethyl-N'-[(E)-prop-1-enyl]-methanimidamide
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1-propyl-1H-imidazol-1-ium chloride
CID 19765953
1-methanidyl-4-methyl-1H-imidazol-1-ium
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CID 21567637
chloromethane;1-ethenyl-1H-imidazol-1-ium
CID 22046098
1,3-dimethyl-1H-imidazole-1,3-diium
CID 22947747
N'-ethyl-N-prop-1-enylmethanimidamide
CID 54520223
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Frequently Asked Questions

What is the IUPAC name of 1-prop-1-enyl-1H-imidazol-1-ium chloride?
The IUPAC name of 1-prop-1-enyl-1H-imidazol-1-ium chloride (CID 86617951) is 1-prop-1-enyl-1H-imidazol-1-ium chloride.
What is the SMILES notation for 1-prop-1-enyl-1H-imidazol-1-ium chloride?
The canonical SMILES for 1-prop-1-enyl-1H-imidazol-1-ium chloride is CC=C[NH+]1C=CN=C1.[Cl-].
What is the InChIKey of 1-prop-1-enyl-1H-imidazol-1-ium chloride?
The InChIKey is GGZKJFGVSZKFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.ClH/c1-2-4-8-5-3-7-6-8;/h2-6H,1H3;1H.
What are the key properties of 1-prop-1-enyl-1H-imidazol-1-ium chloride?
1-prop-1-enyl-1H-imidazol-1-ium chloride has a molecular weight of 144.60 g/mol, XLogP of -3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-enyl-1H-imidazol-1-ium chloride is sourced from PubChem (CID 86617951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).