1-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]-3-methyl-2-methylidenepyrazine

C14H18N2 — CID 143756626

IUPAC1-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]-3-methyl-2-methylidenepyrazine
SMILESC=CC(=C\C)/C(=C/C)N1C=CN=C(C)C1=C
InChIInChI=1S/C14H18N2/c1-6-13(7-2)14(8-3)16-10-9-15-11(4)12(16)5/h6-10H,1,5H2,2-4H3/b13-7+,14-8-
InChIKeyHBFAYXFIJNTAOI-GUZOQHLSSA-N
MW214.31 g/mol
LogP3.78
Rot. Bonds3

About 1-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]-3-methyl-2-methylidenepyrazine

1-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]-3-methyl-2-methylidenepyrazine (PubChem CID 143756626) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]-3-methyl-2-methylidenepyrazine.

Molecular Properties

Compound Name1-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]-3-methyl-2-methylidenepyrazine
PubChem CID143756626
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]-3-methyl-2-methylidenepyrazine
SMILESC=CC(=C\C)/C(=C/C)N1C=CN=C(C)C1=C
InChIInChI=1S/C14H18N2/c1-6-13(7-2)14(8-3)16-10-9-15-11(4)12(16)5/h6-10H,1,5H2,2-4H3/b13-7+,14-8-
InChIKeyHBFAYXFIJNTAOI-GUZOQHLSSA-N
XLogP3.78
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.78
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-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]-3-methyl-2-methylidenepyrazine?
The IUPAC name of 1-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]-3-methyl-2-methylidenepyrazine (CID 143756626) is 1-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]-3-methyl-2-methylidenepyrazine.
What is the SMILES notation for 1-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]-3-methyl-2-methylidenepyrazine?
The canonical SMILES for 1-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]-3-methyl-2-methylidenepyrazine is C=CC(=C\C)/C(=C/C)N1C=CN=C(C)C1=C.
What is the InChIKey of 1-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]-3-methyl-2-methylidenepyrazine?
The InChIKey is HBFAYXFIJNTAOI-GUZOQHLSSA-N. The full InChI is InChI=1S/C14H18N2/c1-6-13(7-2)14(8-3)16-10-9-15-11(4)12(16)5/h6-10H,1,5H2,2-4H3/b13-7+,14-8-.
What are the key properties of 1-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]-3-methyl-2-methylidenepyrazine?
1-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]-3-methyl-2-methylidenepyrazine has a molecular weight of 214.31 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]-3-methyl-2-methylidenepyrazine is sourced from PubChem (CID 143756626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).