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

C8H14N2 — CID 22770794

IUPAC1-but-3-enyl-3-methyl-2H-imidazole
SMILESC=CCCN1C=CN(C)C1
InChIInChI=1S/C8H14N2/c1-3-4-5-10-7-6-9(2)8-10/h3,6-7H,1,4-5,8H2,2H3
InChIKeyHQZRDMXSBPWEHU-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.24
Rot. Bonds3

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

1-but-3-enyl-3-methyl-2H-imidazole (PubChem CID 22770794) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-but-3-enyl-3-methyl-2H-imidazole.

Molecular Properties

Compound Name1-but-3-enyl-3-methyl-2H-imidazole
PubChem CID22770794
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-but-3-enyl-3-methyl-2H-imidazole
SMILESC=CCCN1C=CN(C)C1
InChIInChI=1S/C8H14N2/c1-3-4-5-10-7-6-9(2)8-10/h3,6-7H,1,4-5,8H2,2H3
InChIKeyHQZRDMXSBPWEHU-UHFFFAOYSA-N
XLogP1.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.24
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?
The IUPAC name of 1-but-3-enyl-3-methyl-2H-imidazole (CID 22770794) is 1-but-3-enyl-3-methyl-2H-imidazole.
What is the SMILES notation for 1-but-3-enyl-3-methyl-2H-imidazole?
The canonical SMILES for 1-but-3-enyl-3-methyl-2H-imidazole is C=CCCN1C=CN(C)C1.
What is the InChIKey of 1-but-3-enyl-3-methyl-2H-imidazole?
The InChIKey is HQZRDMXSBPWEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-4-5-10-7-6-9(2)8-10/h3,6-7H,1,4-5,8H2,2H3.
What are the key properties of 1-but-3-enyl-3-methyl-2H-imidazole?
1-but-3-enyl-3-methyl-2H-imidazole has a molecular weight of 138.21 g/mol, XLogP of 1.24, 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 is sourced from PubChem (CID 22770794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).