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

C7H10N2 — CID 15643146

IUPAC5-[(E)-but-2-en-2-yl]-1H-imidazole
SMILESC/C=C(\C)c1cnc[nH]1
InChIInChI=1S/C7H10N2/c1-3-6(2)7-4-8-5-9-7/h3-5H,1-2H3,(H,8,9)/b6-3+
InChIKeyAVVRDVRWQZDCFS-ZZXKWVIFSA-N
MW122.17 g/mol
LogP1.83
Rot. Bonds1

About 5-[(E)-but-2-en-2-yl]-1H-imidazole

5-[(E)-but-2-en-2-yl]-1H-imidazole (PubChem CID 15643146) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 5-[(E)-but-2-en-2-yl]-1H-imidazole.

Molecular Properties

Compound Name5-[(E)-but-2-en-2-yl]-1H-imidazole
PubChem CID15643146
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name5-[(E)-but-2-en-2-yl]-1H-imidazole
SMILESC/C=C(\C)c1cnc[nH]1
InChIInChI=1S/C7H10N2/c1-3-6(2)7-4-8-5-9-7/h3-5H,1-2H3,(H,8,9)/b6-3+
InChIKeyAVVRDVRWQZDCFS-ZZXKWVIFSA-N
XLogP1.83
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-but-2-en-2-yl]-1H-imidazole?
The IUPAC name of 5-[(E)-but-2-en-2-yl]-1H-imidazole (CID 15643146) is 5-[(E)-but-2-en-2-yl]-1H-imidazole.
What is the SMILES notation for 5-[(E)-but-2-en-2-yl]-1H-imidazole?
The canonical SMILES for 5-[(E)-but-2-en-2-yl]-1H-imidazole is C/C=C(\C)c1cnc[nH]1.
What is the InChIKey of 5-[(E)-but-2-en-2-yl]-1H-imidazole?
The InChIKey is AVVRDVRWQZDCFS-ZZXKWVIFSA-N. The full InChI is InChI=1S/C7H10N2/c1-3-6(2)7-4-8-5-9-7/h3-5H,1-2H3,(H,8,9)/b6-3+.
What are the key properties of 5-[(E)-but-2-en-2-yl]-1H-imidazole?
5-[(E)-but-2-en-2-yl]-1H-imidazole has a molecular weight of 122.17 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-but-2-en-2-yl]-1H-imidazole is sourced from PubChem (CID 15643146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).