2-dec-3-en-1,5-diynylpyrazine

C14H14N2 — CID 71419179

IUPAC2-dec-3-en-1,5-diynylpyrazine
SMILESCCCCC#CC=CC#Cc1cnccn1
InChIInChI=1S/C14H14N2/c1-2-3-4-5-6-7-8-9-10-14-13-15-11-12-16-14/h7-8,11-13H,2-4H2,1H3
InChIKeyHVUZTXZHOMCVHD-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.58
Rot. Bonds2

About 2-dec-3-en-1,5-diynylpyrazine

2-dec-3-en-1,5-diynylpyrazine (PubChem CID 71419179) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-dec-3-en-1,5-diynylpyrazine.

Molecular Properties

Compound Name2-dec-3-en-1,5-diynylpyrazine
PubChem CID71419179
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name2-dec-3-en-1,5-diynylpyrazine
SMILESCCCCC#CC=CC#Cc1cnccn1
InChIInChI=1S/C14H14N2/c1-2-3-4-5-6-7-8-9-10-14-13-15-11-12-16-14/h7-8,11-13H,2-4H2,1H3
InChIKeyHVUZTXZHOMCVHD-UHFFFAOYSA-N
XLogP2.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-dec-3-en-1,5-diynyl]-4-[4-[(E)-dec-3-en-1,5-diynyl]phenyl]benzene
CID 12022913
2-(2-pyrazin-2-ylethynyl)pyrazine
CID 90277956
2-[(E)-6-pyrazin-2-ylhex-3-en-1,5-diynyl]benzonitrile
CID 87989150
4-dec-3-en-1,5-diynylbenzaldehyde
CID 71419156
2-dec-3-en-1,5-diynylphenol
CID 71419164
3-pyrazin-2-ylprop-2-yne-1-thiol
CID 169485935
[(E)-dodec-3-en-1,5-diynyl]benzene
CID 11322329
1-dec-3-en-1,5-diynyl-2-methylsulfanylbenzene
CID 71419140
(E)-non-2-en-4-yne
CID 5367387
(E)-undec-3-en-5-yne
CID 5367449
2-(2-phenylethynyl)pyrazine
CID 13449579
(3Z)-2-methylundeca-1,3-dien-5-yne
CID 102067427

Frequently Asked Questions

What is the IUPAC name of 2-dec-3-en-1,5-diynylpyrazine?
The IUPAC name of 2-dec-3-en-1,5-diynylpyrazine (CID 71419179) is 2-dec-3-en-1,5-diynylpyrazine.
What is the SMILES notation for 2-dec-3-en-1,5-diynylpyrazine?
The canonical SMILES for 2-dec-3-en-1,5-diynylpyrazine is CCCCC#CC=CC#Cc1cnccn1.
What is the InChIKey of 2-dec-3-en-1,5-diynylpyrazine?
The InChIKey is HVUZTXZHOMCVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-2-3-4-5-6-7-8-9-10-14-13-15-11-12-16-14/h7-8,11-13H,2-4H2,1H3.
What are the key properties of 2-dec-3-en-1,5-diynylpyrazine?
2-dec-3-en-1,5-diynylpyrazine has a molecular weight of 210.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dec-3-en-1,5-diynylpyrazine is sourced from PubChem (CID 71419179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).