1-[(E)-but-2-en-2-yl]-4,5-dihydroimidazole

C7H12N2 — CID 23175353

IUPAC1-[(E)-but-2-en-2-yl]-4,5-dihydroimidazole
SMILESC/C=C(\C)N1C=NCC1
InChIInChI=1S/C7H12N2/c1-3-7(2)9-5-4-8-6-9/h3,6H,4-5H2,1-2H3/b7-3+
InChIKeyVCPVJUQCKQQDPD-XVNBXDOJSA-N
MW124.19 g/mol
LogP1.25
Rot. Bonds1

About 1-[(E)-but-2-en-2-yl]-4,5-dihydroimidazole

1-[(E)-but-2-en-2-yl]-4,5-dihydroimidazole (PubChem CID 23175353) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1-[(E)-but-2-en-2-yl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-[(E)-but-2-en-2-yl]-4,5-dihydroimidazole
PubChem CID23175353
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1-[(E)-but-2-en-2-yl]-4,5-dihydroimidazole
SMILESC/C=C(\C)N1C=NCC1
InChIInChI=1S/C7H12N2/c1-3-7(2)9-5-4-8-6-9/h3,6H,4-5H2,1-2H3/b7-3+
InChIKeyVCPVJUQCKQQDPD-XVNBXDOJSA-N
XLogP1.25
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.25
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]-4,5-dihydroimidazole?
The IUPAC name of 1-[(E)-but-2-en-2-yl]-4,5-dihydroimidazole (CID 23175353) is 1-[(E)-but-2-en-2-yl]-4,5-dihydroimidazole.
What is the SMILES notation for 1-[(E)-but-2-en-2-yl]-4,5-dihydroimidazole?
The canonical SMILES for 1-[(E)-but-2-en-2-yl]-4,5-dihydroimidazole is C/C=C(\C)N1C=NCC1.
What is the InChIKey of 1-[(E)-but-2-en-2-yl]-4,5-dihydroimidazole?
The InChIKey is VCPVJUQCKQQDPD-XVNBXDOJSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-7(2)9-5-4-8-6-9/h3,6H,4-5H2,1-2H3/b7-3+.
What are the key properties of 1-[(E)-but-2-en-2-yl]-4,5-dihydroimidazole?
1-[(E)-but-2-en-2-yl]-4,5-dihydroimidazole has a molecular weight of 124.19 g/mol, XLogP of 1.25, 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]-4,5-dihydroimidazole is sourced from PubChem (CID 23175353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).