2-methoxy-3-pent-4-enylpyrazine

C10H14N2O — CID 528307

IUPAC2-methoxy-3-pent-4-enylpyrazine
SMILESC=CCCCc1nccnc1OC
InChIInChI=1S/C10H14N2O/c1-3-4-5-6-9-10(13-2)12-8-7-11-9/h3,7-8H,1,4-6H2,2H3
InChIKeyACVNEKTUKYFZNP-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.99
Rot. Bonds5

About 2-methoxy-3-pent-4-enylpyrazine

2-methoxy-3-pent-4-enylpyrazine (PubChem CID 528307) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-methoxy-3-pent-4-enylpyrazine.

Molecular Properties

Compound Name2-methoxy-3-pent-4-enylpyrazine
PubChem CID528307
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name2-methoxy-3-pent-4-enylpyrazine
SMILESC=CCCCc1nccnc1OC
InChIInChI=1S/C10H14N2O/c1-3-4-5-6-9-10(13-2)12-8-7-11-9/h3,7-8H,1,4-6H2,2H3
InChIKeyACVNEKTUKYFZNP-UHFFFAOYSA-N
XLogP1.99
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-pent-4-enylpyrazine?
The IUPAC name of 2-methoxy-3-pent-4-enylpyrazine (CID 528307) is 2-methoxy-3-pent-4-enylpyrazine.
What is the SMILES notation for 2-methoxy-3-pent-4-enylpyrazine?
The canonical SMILES for 2-methoxy-3-pent-4-enylpyrazine is C=CCCCc1nccnc1OC.
What is the InChIKey of 2-methoxy-3-pent-4-enylpyrazine?
The InChIKey is ACVNEKTUKYFZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-4-5-6-9-10(13-2)12-8-7-11-9/h3,7-8H,1,4-6H2,2H3.
What are the key properties of 2-methoxy-3-pent-4-enylpyrazine?
2-methoxy-3-pent-4-enylpyrazine has a molecular weight of 178.23 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-pent-4-enylpyrazine is sourced from PubChem (CID 528307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).