1-[(1Z)-buta-1,3-dienyl]-2-ethenylimidazole;ethane

C11H16N2 — CID 143945087

IUPAC1-[(1Z)-buta-1,3-dienyl]-2-ethenylimidazole;ethane
SMILESC=C/C=C\n1ccnc1C=C.CC
InChIInChI=1S/C9H10N2.C2H6/c1-3-5-7-11-8-6-10-9(11)4-2;1-2/h3-8H,1-2H2;1-2H3/b7-5-;
InChIKeySMXFTJQDMNZBAF-YJOCEBFMSA-N
MW176.26 g/mol
LogP3.21
Rot. Bonds3

About 1-[(1Z)-buta-1,3-dienyl]-2-ethenylimidazole;ethane

1-[(1Z)-buta-1,3-dienyl]-2-ethenylimidazole;ethane (PubChem CID 143945087) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-[(1Z)-buta-1,3-dienyl]-2-ethenylimidazole;ethane.

Molecular Properties

Compound Name1-[(1Z)-buta-1,3-dienyl]-2-ethenylimidazole;ethane
PubChem CID143945087
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-[(1Z)-buta-1,3-dienyl]-2-ethenylimidazole;ethane
SMILESC=C/C=C\n1ccnc1C=C.CC
InChIInChI=1S/C9H10N2.C2H6/c1-3-5-7-11-8-6-10-9(11)4-2;1-2/h3-8H,1-2H2;1-2H3/b7-5-;
InChIKeySMXFTJQDMNZBAF-YJOCEBFMSA-N
XLogP3.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1Z)-buta-1,3-dienyl]-2-ethenylimidazole;ethane?
The IUPAC name of 1-[(1Z)-buta-1,3-dienyl]-2-ethenylimidazole;ethane (CID 143945087) is 1-[(1Z)-buta-1,3-dienyl]-2-ethenylimidazole;ethane.
What is the SMILES notation for 1-[(1Z)-buta-1,3-dienyl]-2-ethenylimidazole;ethane?
The canonical SMILES for 1-[(1Z)-buta-1,3-dienyl]-2-ethenylimidazole;ethane is C=C/C=C\n1ccnc1C=C.CC.
What is the InChIKey of 1-[(1Z)-buta-1,3-dienyl]-2-ethenylimidazole;ethane?
The InChIKey is SMXFTJQDMNZBAF-YJOCEBFMSA-N. The full InChI is InChI=1S/C9H10N2.C2H6/c1-3-5-7-11-8-6-10-9(11)4-2;1-2/h3-8H,1-2H2;1-2H3/b7-5-;.
What are the key properties of 1-[(1Z)-buta-1,3-dienyl]-2-ethenylimidazole;ethane?
1-[(1Z)-buta-1,3-dienyl]-2-ethenylimidazole;ethane has a molecular weight of 176.26 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1Z)-buta-1,3-dienyl]-2-ethenylimidazole;ethane is sourced from PubChem (CID 143945087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).