(5-methylpyrazin-2-yl)methyl prop-2-enoate

C9H10N2O2 — CID 23462038

IUPAC(5-methylpyrazin-2-yl)methyl prop-2-enoate
SMILESC=CC(=O)OCc1cnc(C)cn1
InChIInChI=1S/C9H10N2O2/c1-3-9(12)13-6-8-5-10-7(2)4-11-8/h3-5H,1,6H2,2H3
InChIKeyQPJMWFISKWLYGE-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.01
Rot. Bonds3

About (5-methylpyrazin-2-yl)methyl prop-2-enoate

(5-methylpyrazin-2-yl)methyl prop-2-enoate (PubChem CID 23462038) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)methyl prop-2-enoate.

Molecular Properties

Compound Name(5-methylpyrazin-2-yl)methyl prop-2-enoate
PubChem CID23462038
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name(5-methylpyrazin-2-yl)methyl prop-2-enoate
SMILESC=CC(=O)OCc1cnc(C)cn1
InChIInChI=1S/C9H10N2O2/c1-3-9(12)13-6-8-5-10-7(2)4-11-8/h3-5H,1,6H2,2H3
InChIKeyQPJMWFISKWLYGE-UHFFFAOYSA-N
XLogP1.01
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.01
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 (5-methylpyrazin-2-yl)methyl prop-2-enoate?
The IUPAC name of (5-methylpyrazin-2-yl)methyl prop-2-enoate (CID 23462038) is (5-methylpyrazin-2-yl)methyl prop-2-enoate.
What is the SMILES notation for (5-methylpyrazin-2-yl)methyl prop-2-enoate?
The canonical SMILES for (5-methylpyrazin-2-yl)methyl prop-2-enoate is C=CC(=O)OCc1cnc(C)cn1.
What is the InChIKey of (5-methylpyrazin-2-yl)methyl prop-2-enoate?
The InChIKey is QPJMWFISKWLYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-3-9(12)13-6-8-5-10-7(2)4-11-8/h3-5H,1,6H2,2H3.
What are the key properties of (5-methylpyrazin-2-yl)methyl prop-2-enoate?
(5-methylpyrazin-2-yl)methyl prop-2-enoate has a molecular weight of 178.19 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazin-2-yl)methyl prop-2-enoate is sourced from PubChem (CID 23462038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).