2-buta-1,3-dien-2-yl-1-methylimidazole

C8H10N2 — CID 87132490

IUPAC2-buta-1,3-dien-2-yl-1-methylimidazole
SMILESC=CC(=C)c1nccn1C
InChIInChI=1S/C8H10N2/c1-4-7(2)8-9-5-6-10(8)3/h4-6H,1-2H2,3H3
InChIKeyJUDVZFYGRITIGD-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.62
Rot. Bonds2

About 2-buta-1,3-dien-2-yl-1-methylimidazole

2-buta-1,3-dien-2-yl-1-methylimidazole (PubChem CID 87132490) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 2-buta-1,3-dien-2-yl-1-methylimidazole.

Molecular Properties

Compound Name2-buta-1,3-dien-2-yl-1-methylimidazole
PubChem CID87132490
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name2-buta-1,3-dien-2-yl-1-methylimidazole
SMILESC=CC(=C)c1nccn1C
InChIInChI=1S/C8H10N2/c1-4-7(2)8-9-5-6-10(8)3/h4-6H,1-2H2,3H3
InChIKeyJUDVZFYGRITIGD-UHFFFAOYSA-N
XLogP1.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-allyl-1H-imidazole
CID 35794
1,2-Dimethyl-3-propylimidazolium Iodide
CID 11459786
1-Butyl-2-methyl-1H-imidazole
CID 304622
1-Allyl-3-methylimidazolium chloride
CID 11321106
1-Subsituted 1H-imidazole, 10
CID 20148469
1-Subsituted 1H-imidazole, 13
CID 23466933
1-Subsituted 1H-imidazole, 14
CID 25116047
N-(dimethylallyl)imidazole
CID 57339814
1-Subsituted 1H-imidazole, 12
CID 57339815
1-Allyl-3-methylimidazolium bromide
CID 11229454
1-Allyl-3-methylimidazolium iodide
CID 12392665
1-Isobutyl-2-methylimidazole~
CID 22055170

Frequently Asked Questions

What is the IUPAC name of 2-buta-1,3-dien-2-yl-1-methylimidazole?
The IUPAC name of 2-buta-1,3-dien-2-yl-1-methylimidazole (CID 87132490) is 2-buta-1,3-dien-2-yl-1-methylimidazole.
What is the SMILES notation for 2-buta-1,3-dien-2-yl-1-methylimidazole?
The canonical SMILES for 2-buta-1,3-dien-2-yl-1-methylimidazole is C=CC(=C)c1nccn1C.
What is the InChIKey of 2-buta-1,3-dien-2-yl-1-methylimidazole?
The InChIKey is JUDVZFYGRITIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-4-7(2)8-9-5-6-10(8)3/h4-6H,1-2H2,3H3.
What are the key properties of 2-buta-1,3-dien-2-yl-1-methylimidazole?
2-buta-1,3-dien-2-yl-1-methylimidazole has a molecular weight of 134.18 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-buta-1,3-dien-2-yl-1-methylimidazole is sourced from PubChem (CID 87132490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).