2-[(E)-3-ethoxyprop-1-enyl]-5-methoxypyrazine

C10H14N2O2 — CID 134511053

IUPAC2-[(E)-3-ethoxyprop-1-enyl]-5-methoxypyrazine
SMILESCCOC/C=C/c1cnc(OC)cn1
InChIInChI=1S/C10H14N2O2/c1-3-14-6-4-5-9-7-12-10(13-2)8-11-9/h4-5,7-8H,3,6H2,1-2H3/b5-4+
InChIKeyRBVWAJSSYAWNHQ-SNAWJCMRSA-N
MW194.23 g/mol
LogP1.53
Rot. Bonds5

About 2-[(E)-3-ethoxyprop-1-enyl]-5-methoxypyrazine

2-[(E)-3-ethoxyprop-1-enyl]-5-methoxypyrazine (PubChem CID 134511053) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-[(E)-3-ethoxyprop-1-enyl]-5-methoxypyrazine.

Molecular Properties

Compound Name2-[(E)-3-ethoxyprop-1-enyl]-5-methoxypyrazine
PubChem CID134511053
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-[(E)-3-ethoxyprop-1-enyl]-5-methoxypyrazine
SMILESCCOC/C=C/c1cnc(OC)cn1
InChIInChI=1S/C10H14N2O2/c1-3-14-6-4-5-9-7-12-10(13-2)8-11-9/h4-5,7-8H,3,6H2,1-2H3/b5-4+
InChIKeyRBVWAJSSYAWNHQ-SNAWJCMRSA-N
XLogP1.53
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-ethoxyprop-1-enyl]-5-methoxypyrazine?
The IUPAC name of 2-[(E)-3-ethoxyprop-1-enyl]-5-methoxypyrazine (CID 134511053) is 2-[(E)-3-ethoxyprop-1-enyl]-5-methoxypyrazine.
What is the SMILES notation for 2-[(E)-3-ethoxyprop-1-enyl]-5-methoxypyrazine?
The canonical SMILES for 2-[(E)-3-ethoxyprop-1-enyl]-5-methoxypyrazine is CCOC/C=C/c1cnc(OC)cn1.
What is the InChIKey of 2-[(E)-3-ethoxyprop-1-enyl]-5-methoxypyrazine?
The InChIKey is RBVWAJSSYAWNHQ-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-14-6-4-5-9-7-12-10(13-2)8-11-9/h4-5,7-8H,3,6H2,1-2H3/b5-4+.
What are the key properties of 2-[(E)-3-ethoxyprop-1-enyl]-5-methoxypyrazine?
2-[(E)-3-ethoxyprop-1-enyl]-5-methoxypyrazine has a molecular weight of 194.23 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-ethoxyprop-1-enyl]-5-methoxypyrazine is sourced from PubChem (CID 134511053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).