1-but-3-enyl-3-methyl-2H-imidazole;hydrobromide

C8H15BrN2 — CID 173072887

IUPAC1-but-3-enyl-3-methyl-2H-imidazole;hydrobromide
SMILESBr.C=CCCN1C=CN(C)C1
InChIInChI=1S/C8H14N2.BrH/c1-3-4-5-10-7-6-9(2)8-10;/h3,6-7H,1,4-5,8H2,2H3;1H
InChIKeyJBXAYKWVRCTFJD-UHFFFAOYSA-N
MW219.13 g/mol
LogP1.82
Rot. Bonds3

About 1-but-3-enyl-3-methyl-2H-imidazole;hydrobromide

1-but-3-enyl-3-methyl-2H-imidazole;hydrobromide (PubChem CID 173072887) has the molecular formula C8H15BrN2 and a molecular weight of 219.13 g/mol. Its IUPAC name is 1-but-3-enyl-3-methyl-2H-imidazole;hydrobromide.

Molecular Properties

Compound Name1-but-3-enyl-3-methyl-2H-imidazole;hydrobromide
PubChem CID173072887
Molecular FormulaC8H15BrN2
Molecular Weight219.13 g/mol
Exact Mass218.04
IUPAC Name1-but-3-enyl-3-methyl-2H-imidazole;hydrobromide
SMILESBr.C=CCCN1C=CN(C)C1
InChIInChI=1S/C8H14N2.BrH/c1-3-4-5-10-7-6-9(2)8-10;/h3,6-7H,1,4-5,8H2,2H3;1H
InChIKeyJBXAYKWVRCTFJD-UHFFFAOYSA-N
XLogP1.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.13
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-3-methyl-2H-imidazole;hydrobromide?
The IUPAC name of 1-but-3-enyl-3-methyl-2H-imidazole;hydrobromide (CID 173072887) is 1-but-3-enyl-3-methyl-2H-imidazole;hydrobromide.
What is the SMILES notation for 1-but-3-enyl-3-methyl-2H-imidazole;hydrobromide?
The canonical SMILES for 1-but-3-enyl-3-methyl-2H-imidazole;hydrobromide is Br.C=CCCN1C=CN(C)C1.
What is the InChIKey of 1-but-3-enyl-3-methyl-2H-imidazole;hydrobromide?
The InChIKey is JBXAYKWVRCTFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.BrH/c1-3-4-5-10-7-6-9(2)8-10;/h3,6-7H,1,4-5,8H2,2H3;1H.
What are the key properties of 1-but-3-enyl-3-methyl-2H-imidazole;hydrobromide?
1-but-3-enyl-3-methyl-2H-imidazole;hydrobromide has a molecular weight of 219.13 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-3-methyl-2H-imidazole;hydrobromide is sourced from PubChem (CID 173072887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).