(E)-3-pyrazin-2-ylprop-2-en-1-ol

C7H8N2O — CID 162376500

IUPAC(E)-3-pyrazin-2-ylprop-2-en-1-ol
SMILESOC/C=C/c1cnccn1
InChIInChI=1S/C7H8N2O/c10-5-1-2-7-6-8-3-4-9-7/h1-4,6,10H,5H2/b2-1+
InChIKeyXQOZRTNBIHAXSX-OWOJBTEDSA-N
MW136.15 g/mol
LogP0.48
Rot. Bonds2

About (E)-3-pyrazin-2-ylprop-2-en-1-ol

(E)-3-pyrazin-2-ylprop-2-en-1-ol (PubChem CID 162376500) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is (E)-3-pyrazin-2-ylprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-pyrazin-2-ylprop-2-en-1-ol
PubChem CID162376500
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name(E)-3-pyrazin-2-ylprop-2-en-1-ol
SMILESOC/C=C/c1cnccn1
InChIInChI=1S/C7H8N2O/c10-5-1-2-7-6-8-3-4-9-7/h1-4,6,10H,5H2/b2-1+
InChIKeyXQOZRTNBIHAXSX-OWOJBTEDSA-N
XLogP0.48
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-3-pyrazin-2-ylprop-2-en-1-ol?
The IUPAC name of (E)-3-pyrazin-2-ylprop-2-en-1-ol (CID 162376500) is (E)-3-pyrazin-2-ylprop-2-en-1-ol.
What is the SMILES notation for (E)-3-pyrazin-2-ylprop-2-en-1-ol?
The canonical SMILES for (E)-3-pyrazin-2-ylprop-2-en-1-ol is OC/C=C/c1cnccn1.
What is the InChIKey of (E)-3-pyrazin-2-ylprop-2-en-1-ol?
The InChIKey is XQOZRTNBIHAXSX-OWOJBTEDSA-N. The full InChI is InChI=1S/C7H8N2O/c10-5-1-2-7-6-8-3-4-9-7/h1-4,6,10H,5H2/b2-1+.
What are the key properties of (E)-3-pyrazin-2-ylprop-2-en-1-ol?
(E)-3-pyrazin-2-ylprop-2-en-1-ol has a molecular weight of 136.15 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-pyrazin-2-ylprop-2-en-1-ol is sourced from PubChem (CID 162376500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).