4-Methyl-1-(prop-2-en-1-yl)-1h-imidazole

HCID 237485

Notes Reactions

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Basic information

CAS: 6307-15-9
Standard SMILES: C=CCn1cnc(C)c1
InChIKey: CCCXEUIYYWUDID-UHFFFAOYSA-N
Molecular formula: C7H10N2
Average molar mass: 122.17 g/mol
Monoisotopic mass: 122.08439833

Names & identifiers

Preferred name: 4-Methyl-1-(prop-2-en-1-yl)-1h-imidazole
IUPAC: 4-methyl-1-prop-2-enylimidazole

Names & synonyms

4-methyl-1-(prop-2-en-1-yl)-1h-imidazole6307-15-91-allyl-4-methyl-1H-imidazoleNSC41090SCHEMBL4760870SCHEMBL22555800DTXSID80285217CCCXEUIYYWUDID-UHFFFAOYSA-NNSC-41090

Database identifiers

CAS: 6307-15-9
PubChem CID: 237485
DTXSID: DTXSID80285217
Nikkaji: J3.502.447F

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 17.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 101

Related reactions

4 records

New reaction record

HRID 899689As productuspto-grants-2008_04

HRID 899840As productuspto-grants-2008_04

HRID 1624336As productuspto-grants-2014_07

HRID 2132508As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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