5-ethyl-2-[(2Z,4Z)-hexa-2,4-dienyl]-3-methyl-2,3-dihydropyrazine

C13H20N2 — CID 88866229

IUPAC5-ethyl-2-[(2Z,4Z)-hexa-2,4-dienyl]-3-methyl-2,3-dihydropyrazine
SMILESC/C=C\C=C/CC1N=CC(CC)=NC1C
InChIInChI=1S/C13H20N2/c1-4-6-7-8-9-13-11(3)15-12(5-2)10-14-13/h4,6-8,10-11,13H,5,9H2,1-3H3/b6-4-,8-7-
InChIKeyNQXSEVSGDOEULK-MOIRPGTBSA-N
MW204.32 g/mol
LogP3.20
Rot. Bonds4

About 5-ethyl-2-[(2Z,4Z)-hexa-2,4-dienyl]-3-methyl-2,3-dihydropyrazine

5-ethyl-2-[(2Z,4Z)-hexa-2,4-dienyl]-3-methyl-2,3-dihydropyrazine (PubChem CID 88866229) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 5-ethyl-2-[(2Z,4Z)-hexa-2,4-dienyl]-3-methyl-2,3-dihydropyrazine.

Molecular Properties

Compound Name5-ethyl-2-[(2Z,4Z)-hexa-2,4-dienyl]-3-methyl-2,3-dihydropyrazine
PubChem CID88866229
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name5-ethyl-2-[(2Z,4Z)-hexa-2,4-dienyl]-3-methyl-2,3-dihydropyrazine
SMILESC/C=C\C=C/CC1N=CC(CC)=NC1C
InChIInChI=1S/C13H20N2/c1-4-6-7-8-9-13-11(3)15-12(5-2)10-14-13/h4,6-8,10-11,13H,5,9H2,1-3H3/b6-4-,8-7-
InChIKeyNQXSEVSGDOEULK-MOIRPGTBSA-N
XLogP3.20
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.20
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 5-ethyl-2-[(2Z,4Z)-hexa-2,4-dienyl]-3-methyl-2,3-dihydropyrazine?
The IUPAC name of 5-ethyl-2-[(2Z,4Z)-hexa-2,4-dienyl]-3-methyl-2,3-dihydropyrazine (CID 88866229) is 5-ethyl-2-[(2Z,4Z)-hexa-2,4-dienyl]-3-methyl-2,3-dihydropyrazine.
What is the SMILES notation for 5-ethyl-2-[(2Z,4Z)-hexa-2,4-dienyl]-3-methyl-2,3-dihydropyrazine?
The canonical SMILES for 5-ethyl-2-[(2Z,4Z)-hexa-2,4-dienyl]-3-methyl-2,3-dihydropyrazine is C/C=C\C=C/CC1N=CC(CC)=NC1C.
What is the InChIKey of 5-ethyl-2-[(2Z,4Z)-hexa-2,4-dienyl]-3-methyl-2,3-dihydropyrazine?
The InChIKey is NQXSEVSGDOEULK-MOIRPGTBSA-N. The full InChI is InChI=1S/C13H20N2/c1-4-6-7-8-9-13-11(3)15-12(5-2)10-14-13/h4,6-8,10-11,13H,5,9H2,1-3H3/b6-4-,8-7-.
What are the key properties of 5-ethyl-2-[(2Z,4Z)-hexa-2,4-dienyl]-3-methyl-2,3-dihydropyrazine?
5-ethyl-2-[(2Z,4Z)-hexa-2,4-dienyl]-3-methyl-2,3-dihydropyrazine has a molecular weight of 204.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(2Z,4Z)-hexa-2,4-dienyl]-3-methyl-2,3-dihydropyrazine is sourced from PubChem (CID 88866229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).