2-pyrazin-2-ylethyl 2-methylprop-2-enoate

C10H12N2O2 — CID 118200492

IUPAC2-pyrazin-2-ylethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCc1cnccn1
InChIInChI=1S/C10H12N2O2/c1-8(2)10(13)14-6-3-9-7-11-4-5-12-9/h4-5,7H,1,3,6H2,2H3
InChIKeyWQMOAFHIOHDIMH-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.14
Rot. Bonds4

About 2-pyrazin-2-ylethyl 2-methylprop-2-enoate

2-pyrazin-2-ylethyl 2-methylprop-2-enoate (PubChem CID 118200492) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-pyrazin-2-ylethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-pyrazin-2-ylethyl 2-methylprop-2-enoate
PubChem CID118200492
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-pyrazin-2-ylethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCc1cnccn1
InChIInChI=1S/C10H12N2O2/c1-8(2)10(13)14-6-3-9-7-11-4-5-12-9/h4-5,7H,1,3,6H2,2H3
InChIKeyWQMOAFHIOHDIMH-UHFFFAOYSA-N
XLogP1.14
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.14
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 2-pyrazin-2-ylethyl 2-methylprop-2-enoate?
The IUPAC name of 2-pyrazin-2-ylethyl 2-methylprop-2-enoate (CID 118200492) is 2-pyrazin-2-ylethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-pyrazin-2-ylethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-pyrazin-2-ylethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCc1cnccn1.
What is the InChIKey of 2-pyrazin-2-ylethyl 2-methylprop-2-enoate?
The InChIKey is WQMOAFHIOHDIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-8(2)10(13)14-6-3-9-7-11-4-5-12-9/h4-5,7H,1,3,6H2,2H3.
What are the key properties of 2-pyrazin-2-ylethyl 2-methylprop-2-enoate?
2-pyrazin-2-ylethyl 2-methylprop-2-enoate has a molecular weight of 192.22 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-ylethyl 2-methylprop-2-enoate is sourced from PubChem (CID 118200492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).