3-(1-ethoxyethenyl)-2,5-dimethylpyrazine

C10H14N2O — CID 169267308

IUPAC3-(1-ethoxyethenyl)-2,5-dimethylpyrazine
SMILESC=C(OCC)c1nc(C)cnc1C
InChIInChI=1S/C10H14N2O/c1-5-13-9(4)10-8(3)11-6-7(2)12-10/h6H,4-5H2,1-3H3
InChIKeyXKZWHSCTTQGFFQ-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.10
Rot. Bonds3

About 3-(1-ethoxyethenyl)-2,5-dimethylpyrazine

3-(1-ethoxyethenyl)-2,5-dimethylpyrazine (PubChem CID 169267308) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-(1-ethoxyethenyl)-2,5-dimethylpyrazine.

Molecular Properties

Compound Name3-(1-ethoxyethenyl)-2,5-dimethylpyrazine
PubChem CID169267308
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name3-(1-ethoxyethenyl)-2,5-dimethylpyrazine
SMILESC=C(OCC)c1nc(C)cnc1C
InChIInChI=1S/C10H14N2O/c1-5-13-9(4)10-8(3)11-6-7(2)12-10/h6H,4-5H2,1-3H3
InChIKeyXKZWHSCTTQGFFQ-UHFFFAOYSA-N
XLogP2.10
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethenyl)-2,5-dimethylpyrazine?
The IUPAC name of 3-(1-ethoxyethenyl)-2,5-dimethylpyrazine (CID 169267308) is 3-(1-ethoxyethenyl)-2,5-dimethylpyrazine.
What is the SMILES notation for 3-(1-ethoxyethenyl)-2,5-dimethylpyrazine?
The canonical SMILES for 3-(1-ethoxyethenyl)-2,5-dimethylpyrazine is C=C(OCC)c1nc(C)cnc1C.
What is the InChIKey of 3-(1-ethoxyethenyl)-2,5-dimethylpyrazine?
The InChIKey is XKZWHSCTTQGFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-5-13-9(4)10-8(3)11-6-7(2)12-10/h6H,4-5H2,1-3H3.
What are the key properties of 3-(1-ethoxyethenyl)-2,5-dimethylpyrazine?
3-(1-ethoxyethenyl)-2,5-dimethylpyrazine has a molecular weight of 178.23 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethenyl)-2,5-dimethylpyrazine is sourced from PubChem (CID 169267308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).