6-[(1Z)-buta-1,3-dienyl]-5-ethenyl-4-iodo-2,3-dihydro-1H-pyrazine

C10H13IN2 — CID 147054119

IUPAC6-[(1Z)-buta-1,3-dienyl]-5-ethenyl-4-iodo-2,3-dihydro-1H-pyrazine
SMILESC=C/C=C\C1=C(C=C)N(I)CCN1
InChIInChI=1S/C10H13IN2/c1-3-5-6-9-10(4-2)13(11)8-7-12-9/h3-6,12H,1-2,7-8H2/b6-5-
InChIKeyBBWXLDBQQFPDGT-WAYWQWQTSA-N
MW288.13 g/mol
LogP2.38
Rot. Bonds3

About 6-[(1Z)-buta-1,3-dienyl]-5-ethenyl-4-iodo-2,3-dihydro-1H-pyrazine

6-[(1Z)-buta-1,3-dienyl]-5-ethenyl-4-iodo-2,3-dihydro-1H-pyrazine (PubChem CID 147054119) has the molecular formula C10H13IN2 and a molecular weight of 288.13 g/mol. Its IUPAC name is 6-[(1Z)-buta-1,3-dienyl]-5-ethenyl-4-iodo-2,3-dihydro-1H-pyrazine.

Molecular Properties

Compound Name6-[(1Z)-buta-1,3-dienyl]-5-ethenyl-4-iodo-2,3-dihydro-1H-pyrazine
PubChem CID147054119
Molecular FormulaC10H13IN2
Molecular Weight288.13 g/mol
Exact Mass288.01
IUPAC Name6-[(1Z)-buta-1,3-dienyl]-5-ethenyl-4-iodo-2,3-dihydro-1H-pyrazine
SMILESC=C/C=C\C1=C(C=C)N(I)CCN1
InChIInChI=1S/C10H13IN2/c1-3-5-6-9-10(4-2)13(11)8-7-12-9/h3-6,12H,1-2,7-8H2/b6-5-
InChIKeyBBWXLDBQQFPDGT-WAYWQWQTSA-N
XLogP2.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(1Z)-buta-1,3-dienyl]-5-ethenyl-4-iodo-2,3-dihydro-1H-pyrazine?
The IUPAC name of 6-[(1Z)-buta-1,3-dienyl]-5-ethenyl-4-iodo-2,3-dihydro-1H-pyrazine (CID 147054119) is 6-[(1Z)-buta-1,3-dienyl]-5-ethenyl-4-iodo-2,3-dihydro-1H-pyrazine.
What is the SMILES notation for 6-[(1Z)-buta-1,3-dienyl]-5-ethenyl-4-iodo-2,3-dihydro-1H-pyrazine?
The canonical SMILES for 6-[(1Z)-buta-1,3-dienyl]-5-ethenyl-4-iodo-2,3-dihydro-1H-pyrazine is C=C/C=C\C1=C(C=C)N(I)CCN1.
What is the InChIKey of 6-[(1Z)-buta-1,3-dienyl]-5-ethenyl-4-iodo-2,3-dihydro-1H-pyrazine?
The InChIKey is BBWXLDBQQFPDGT-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H13IN2/c1-3-5-6-9-10(4-2)13(11)8-7-12-9/h3-6,12H,1-2,7-8H2/b6-5-.
What are the key properties of 6-[(1Z)-buta-1,3-dienyl]-5-ethenyl-4-iodo-2,3-dihydro-1H-pyrazine?
6-[(1Z)-buta-1,3-dienyl]-5-ethenyl-4-iodo-2,3-dihydro-1H-pyrazine has a molecular weight of 288.13 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1Z)-buta-1,3-dienyl]-5-ethenyl-4-iodo-2,3-dihydro-1H-pyrazine is sourced from PubChem (CID 147054119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).