1-but-3-enyl-2-ethenylimidazole

C9H12N2 — CID 143678686

IUPAC1-but-3-enyl-2-ethenylimidazole
SMILESC=CCCn1ccnc1C=C
InChIInChI=1S/C9H12N2/c1-3-5-7-11-8-6-10-9(11)4-2/h3-4,6,8H,1-2,5,7H2
InChIKeyDMIWCFXFKIIAEW-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.10
Rot. Bonds4

About 1-but-3-enyl-2-ethenylimidazole

1-but-3-enyl-2-ethenylimidazole (PubChem CID 143678686) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 1-but-3-enyl-2-ethenylimidazole.

Molecular Properties

Compound Name1-but-3-enyl-2-ethenylimidazole
PubChem CID143678686
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name1-but-3-enyl-2-ethenylimidazole
SMILESC=CCCn1ccnc1C=C
InChIInChI=1S/C9H12N2/c1-3-5-7-11-8-6-10-9(11)4-2/h3-4,6,8H,1-2,5,7H2
InChIKeyDMIWCFXFKIIAEW-UHFFFAOYSA-N
XLogP2.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.10
H-Bond Donors ≤ 50
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 1-but-3-enyl-2-ethenylimidazole?
The IUPAC name of 1-but-3-enyl-2-ethenylimidazole (CID 143678686) is 1-but-3-enyl-2-ethenylimidazole.
What is the SMILES notation for 1-but-3-enyl-2-ethenylimidazole?
The canonical SMILES for 1-but-3-enyl-2-ethenylimidazole is C=CCCn1ccnc1C=C.
What is the InChIKey of 1-but-3-enyl-2-ethenylimidazole?
The InChIKey is DMIWCFXFKIIAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-3-5-7-11-8-6-10-9(11)4-2/h3-4,6,8H,1-2,5,7H2.
What are the key properties of 1-but-3-enyl-2-ethenylimidazole?
1-but-3-enyl-2-ethenylimidazole has a molecular weight of 148.21 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-2-ethenylimidazole is sourced from PubChem (CID 143678686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).