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

C7H10N2 — CID 45087123

IUPAC1-[(E)-but-2-en-2-yl]imidazole
SMILESC/C=C(\C)n1ccnc1
InChIInChI=1S/C7H10N2/c1-3-7(2)9-5-4-8-6-9/h3-6H,1-2H3/b7-3+
InChIKeyUSCLZROWXAGSQY-XVNBXDOJSA-N
MW122.17 g/mol
LogP1.76
Rot. Bonds1

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

1-[(E)-but-2-en-2-yl]imidazole (PubChem CID 45087123) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 1-[(E)-but-2-en-2-yl]imidazole.

Molecular Properties

Compound Name1-[(E)-but-2-en-2-yl]imidazole
PubChem CID45087123
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name1-[(E)-but-2-en-2-yl]imidazole
SMILESC/C=C(\C)n1ccnc1
InChIInChI=1S/C7H10N2/c1-3-7(2)9-5-4-8-6-9/h3-6H,1-2H3/b7-3+
InChIKeyUSCLZROWXAGSQY-XVNBXDOJSA-N
XLogP1.76
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-en-2-yl]imidazole?
The IUPAC name of 1-[(E)-but-2-en-2-yl]imidazole (CID 45087123) is 1-[(E)-but-2-en-2-yl]imidazole.
What is the SMILES notation for 1-[(E)-but-2-en-2-yl]imidazole?
The canonical SMILES for 1-[(E)-but-2-en-2-yl]imidazole is C/C=C(\C)n1ccnc1.
What is the InChIKey of 1-[(E)-but-2-en-2-yl]imidazole?
The InChIKey is USCLZROWXAGSQY-XVNBXDOJSA-N. The full InChI is InChI=1S/C7H10N2/c1-3-7(2)9-5-4-8-6-9/h3-6H,1-2H3/b7-3+.
What are the key properties of 1-[(E)-but-2-en-2-yl]imidazole?
1-[(E)-but-2-en-2-yl]imidazole has a molecular weight of 122.17 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-en-2-yl]imidazole is sourced from PubChem (CID 45087123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).