2-[(E)-but-2-enyl]-4,5-dihydro-1H-imidazole

C7H12N2 — CID 13088312

IUPAC2-[(E)-but-2-enyl]-4,5-dihydro-1H-imidazole
SMILESC/C=C/CC1=NCCN1
InChIInChI=1S/C7H12N2/c1-2-3-4-7-8-5-6-9-7/h2-3H,4-6H2,1H3,(H,8,9)/b3-2+
InChIKeyQXHJBIADXOFKQZ-NSCUHMNNSA-N
MW124.19 g/mol
LogP0.95
Rot. Bonds2

About 2-[(E)-but-2-enyl]-4,5-dihydro-1H-imidazole

2-[(E)-but-2-enyl]-4,5-dihydro-1H-imidazole (PubChem CID 13088312) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-[(E)-but-2-enyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(E)-but-2-enyl]-4,5-dihydro-1H-imidazole
PubChem CID13088312
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-[(E)-but-2-enyl]-4,5-dihydro-1H-imidazole
SMILESC/C=C/CC1=NCCN1
InChIInChI=1S/C7H12N2/c1-2-3-4-7-8-5-6-9-7/h2-3H,4-6H2,1H3,(H,8,9)/b3-2+
InChIKeyQXHJBIADXOFKQZ-NSCUHMNNSA-N
XLogP0.95
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-enyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(E)-but-2-enyl]-4,5-dihydro-1H-imidazole (CID 13088312) is 2-[(E)-but-2-enyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(E)-but-2-enyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(E)-but-2-enyl]-4,5-dihydro-1H-imidazole is C/C=C/CC1=NCCN1.
What is the InChIKey of 2-[(E)-but-2-enyl]-4,5-dihydro-1H-imidazole?
The InChIKey is QXHJBIADXOFKQZ-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H12N2/c1-2-3-4-7-8-5-6-9-7/h2-3H,4-6H2,1H3,(H,8,9)/b3-2+.
What are the key properties of 2-[(E)-but-2-enyl]-4,5-dihydro-1H-imidazole?
2-[(E)-but-2-enyl]-4,5-dihydro-1H-imidazole has a molecular weight of 124.19 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-enyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 13088312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).