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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Related Compounds

5-[(1Z)-buta-1,3-dienyl]-4-methyl-2,3-dihydro-1H-pyrrole;ethane
CID 145474616
5,6-bis(ethenyl)-1,2,3,4-tetrahydropyrazine
CID 143140752
3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-8-ethyl-8-azaspiro[4.5]dec-2-ene;ethane
CID 155709835
ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperazine
CID 143059100
ethane;6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine
CID 142875398
5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1H-pyrrol-2-amine;ethane
CID 142256596
6-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1-methyl-3,4-dihydropyridin-2-one;ethane;methanethiol
CID 143228246
2,5-bis[(1Z)-buta-1,3-dienyl]-1,3,4-trimethylpyrrole
CID 134478719
4-buta-1,3-dienyl-1,2,3,6-tetrahydropyridine
CID 20655803
4-[(1Z)-buta-1,3-dienyl]-1,2,3,6-tetrahydropyridine
CID 89245531
5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1H-pyrazine;ethanimine;hexanal
CID 178080494
1-[(1Z)-buta-1,3-dienyl]-2-ethenyl-5,6-dihydro-4H-pyrimidine;ethane
CID 143195742

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).