pyrazin-2-ylmethyl prop-2-enoate

C8H8N2O2 — CID 23462019

IUPACpyrazin-2-ylmethyl prop-2-enoate
SMILESC=CC(=O)OCc1cnccn1
InChIInChI=1S/C8H8N2O2/c1-2-8(11)12-6-7-5-9-3-4-10-7/h2-5H,1,6H2
InChIKeyORGCZMUUWOJDQE-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.71
Rot. Bonds3

About pyrazin-2-ylmethyl prop-2-enoate

pyrazin-2-ylmethyl prop-2-enoate (PubChem CID 23462019) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is pyrazin-2-ylmethyl prop-2-enoate.

Molecular Properties

Compound Namepyrazin-2-ylmethyl prop-2-enoate
PubChem CID23462019
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Namepyrazin-2-ylmethyl prop-2-enoate
SMILESC=CC(=O)OCc1cnccn1
InChIInChI=1S/C8H8N2O2/c1-2-8(11)12-6-7-5-9-3-4-10-7/h2-5H,1,6H2
InChIKeyORGCZMUUWOJDQE-UHFFFAOYSA-N
XLogP0.71
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyrazin-2-ylmethyl prop-2-enoate?
The IUPAC name of pyrazin-2-ylmethyl prop-2-enoate (CID 23462019) is pyrazin-2-ylmethyl prop-2-enoate.
What is the SMILES notation for pyrazin-2-ylmethyl prop-2-enoate?
The canonical SMILES for pyrazin-2-ylmethyl prop-2-enoate is C=CC(=O)OCc1cnccn1.
What is the InChIKey of pyrazin-2-ylmethyl prop-2-enoate?
The InChIKey is ORGCZMUUWOJDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-2-8(11)12-6-7-5-9-3-4-10-7/h2-5H,1,6H2.
What are the key properties of pyrazin-2-ylmethyl prop-2-enoate?
pyrazin-2-ylmethyl prop-2-enoate has a molecular weight of 164.16 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-ylmethyl prop-2-enoate is sourced from PubChem (CID 23462019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).