2-[(E)-but-2-en-2-yl]-1-methylimidazole

C8H12N2 — CID 155007735

IUPAC2-[(E)-but-2-en-2-yl]-1-methylimidazole
SMILESC/C=C(\C)c1nccn1C
InChIInChI=1S/C8H12N2/c1-4-7(2)8-9-5-6-10(8)3/h4-6H,1-3H3/b7-4+
InChIKeyDRGLIWBOHJBRBQ-QPJJXVBHSA-N
MW136.20 g/mol
LogP1.84
Rot. Bonds1

About 2-[(E)-but-2-en-2-yl]-1-methylimidazole

2-[(E)-but-2-en-2-yl]-1-methylimidazole (PubChem CID 155007735) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-[(E)-but-2-en-2-yl]-1-methylimidazole.

Molecular Properties

Compound Name2-[(E)-but-2-en-2-yl]-1-methylimidazole
PubChem CID155007735
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-[(E)-but-2-en-2-yl]-1-methylimidazole
SMILESC/C=C(\C)c1nccn1C
InChIInChI=1S/C8H12N2/c1-4-7(2)8-9-5-6-10(8)3/h4-6H,1-3H3/b7-4+
InChIKeyDRGLIWBOHJBRBQ-QPJJXVBHSA-N
XLogP1.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-4-(1-methylimidazol-2-yl)pent-3-en-1-amine
CID 79608061
4-(1-methylimidazol-2-yl)-N-propylpent-3-en-1-amine
CID 79599262
tris(bis(1-methylimidazol-2-yl)methanone);iron(2+);dichloride;hexahydrate
CID 139059297
2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one
CID 13152280
(2Z)-2-(1-methylimidazol-2-yl)penta-2,4-dien-1-amine
CID 177145905
2-(dimethylamino)-1-(1-methylimidazol-2-yl)ethanone
CID 79078425
(2-methylcyclopropyl)-(1-methylimidazol-2-yl)methanone
CID 60659997
4-(1-methylimidazol-2-yl)-4-oxobutanoic acid
CID 80503766
1-methyl-N'-[(E)-2-methylbut-1-enyl]-N-methylideneimidazole-2-carboximidamide
CID 155370729
2-methoxy-1-(1-methylimidazol-2-yl)propan-1-one
CID 79616410
azepan-1-yl-(1-methylimidazol-2-yl)methanone
CID 78994199
N-cyclopentyl-1-methylimidazole-2-carboxamide
CID 78994269

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-en-2-yl]-1-methylimidazole?
The IUPAC name of 2-[(E)-but-2-en-2-yl]-1-methylimidazole (CID 155007735) is 2-[(E)-but-2-en-2-yl]-1-methylimidazole.
What is the SMILES notation for 2-[(E)-but-2-en-2-yl]-1-methylimidazole?
The canonical SMILES for 2-[(E)-but-2-en-2-yl]-1-methylimidazole is C/C=C(\C)c1nccn1C.
What is the InChIKey of 2-[(E)-but-2-en-2-yl]-1-methylimidazole?
The InChIKey is DRGLIWBOHJBRBQ-QPJJXVBHSA-N. The full InChI is InChI=1S/C8H12N2/c1-4-7(2)8-9-5-6-10(8)3/h4-6H,1-3H3/b7-4+.
What are the key properties of 2-[(E)-but-2-en-2-yl]-1-methylimidazole?
2-[(E)-but-2-en-2-yl]-1-methylimidazole has a molecular weight of 136.20 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-en-2-yl]-1-methylimidazole is sourced from PubChem (CID 155007735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).