1-(2-methylprop-1-enyl)-1H-imidazol-1-ium chloride

C7H11ClN2 — CID 87917892

IUPAC1-(2-methylprop-1-enyl)-1H-imidazol-1-ium chloride
SMILESCC(C)=C[NH+]1C=CN=C1.[Cl-]
InChIInChI=1S/C7H10N2.ClH/c1-7(2)5-9-4-3-8-6-9;/h3-6H,1-2H3;1H
InChIKeyKXRSZZXNMMZEOB-UHFFFAOYSA-N
MW158.63 g/mol
LogP-2.69
Rot. Bonds1

About 1-(2-methylprop-1-enyl)-1H-imidazol-1-ium chloride

1-(2-methylprop-1-enyl)-1H-imidazol-1-ium chloride (PubChem CID 87917892) has the molecular formula C7H11ClN2 and a molecular weight of 158.63 g/mol. Its IUPAC name is 1-(2-methylprop-1-enyl)-1H-imidazol-1-ium chloride.

Molecular Properties

Compound Name1-(2-methylprop-1-enyl)-1H-imidazol-1-ium chloride
PubChem CID87917892
Molecular FormulaC7H11ClN2
Molecular Weight158.63 g/mol
Exact Mass158.06
IUPAC Name1-(2-methylprop-1-enyl)-1H-imidazol-1-ium chloride
SMILESCC(C)=C[NH+]1C=CN=C1.[Cl-]
InChIInChI=1S/C7H10N2.ClH/c1-7(2)5-9-4-3-8-6-9;/h3-6H,1-2H3;1H
InChIKeyKXRSZZXNMMZEOB-UHFFFAOYSA-N
XLogP-2.69
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.63
LogP ≤ 5-2.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-1-enyl)-1H-imidazol-1-ium chloride?
The IUPAC name of 1-(2-methylprop-1-enyl)-1H-imidazol-1-ium chloride (CID 87917892) is 1-(2-methylprop-1-enyl)-1H-imidazol-1-ium chloride.
What is the SMILES notation for 1-(2-methylprop-1-enyl)-1H-imidazol-1-ium chloride?
The canonical SMILES for 1-(2-methylprop-1-enyl)-1H-imidazol-1-ium chloride is CC(C)=C[NH+]1C=CN=C1.[Cl-].
What is the InChIKey of 1-(2-methylprop-1-enyl)-1H-imidazol-1-ium chloride?
The InChIKey is KXRSZZXNMMZEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.ClH/c1-7(2)5-9-4-3-8-6-9;/h3-6H,1-2H3;1H.
What are the key properties of 1-(2-methylprop-1-enyl)-1H-imidazol-1-ium chloride?
1-(2-methylprop-1-enyl)-1H-imidazol-1-ium chloride has a molecular weight of 158.63 g/mol, XLogP of -2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-1-enyl)-1H-imidazol-1-ium chloride is sourced from PubChem (CID 87917892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).