(5,6-dimethylpyrazin-2-yl)methyl prop-2-enoate

C10H12N2O2 — CID 23461996

IUPAC(5,6-dimethylpyrazin-2-yl)methyl prop-2-enoate
SMILESC=CC(=O)OCc1cnc(C)c(C)n1
InChIInChI=1S/C10H12N2O2/c1-4-10(13)14-6-9-5-11-7(2)8(3)12-9/h4-5H,1,6H2,2-3H3
InChIKeyRNPXBANOVDNFHG-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.32
Rot. Bonds3

About (5,6-dimethylpyrazin-2-yl)methyl prop-2-enoate

(5,6-dimethylpyrazin-2-yl)methyl prop-2-enoate (PubChem CID 23461996) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (5,6-dimethylpyrazin-2-yl)methyl prop-2-enoate.

Molecular Properties

Compound Name(5,6-dimethylpyrazin-2-yl)methyl prop-2-enoate
PubChem CID23461996
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(5,6-dimethylpyrazin-2-yl)methyl prop-2-enoate
SMILESC=CC(=O)OCc1cnc(C)c(C)n1
InChIInChI=1S/C10H12N2O2/c1-4-10(13)14-6-9-5-11-7(2)8(3)12-9/h4-5H,1,6H2,2-3H3
InChIKeyRNPXBANOVDNFHG-UHFFFAOYSA-N
XLogP1.32
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.32
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 (5,6-dimethylpyrazin-2-yl)methyl prop-2-enoate?
The IUPAC name of (5,6-dimethylpyrazin-2-yl)methyl prop-2-enoate (CID 23461996) is (5,6-dimethylpyrazin-2-yl)methyl prop-2-enoate.
What is the SMILES notation for (5,6-dimethylpyrazin-2-yl)methyl prop-2-enoate?
The canonical SMILES for (5,6-dimethylpyrazin-2-yl)methyl prop-2-enoate is C=CC(=O)OCc1cnc(C)c(C)n1.
What is the InChIKey of (5,6-dimethylpyrazin-2-yl)methyl prop-2-enoate?
The InChIKey is RNPXBANOVDNFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-4-10(13)14-6-9-5-11-7(2)8(3)12-9/h4-5H,1,6H2,2-3H3.
What are the key properties of (5,6-dimethylpyrazin-2-yl)methyl prop-2-enoate?
(5,6-dimethylpyrazin-2-yl)methyl prop-2-enoate has a molecular weight of 192.22 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethylpyrazin-2-yl)methyl prop-2-enoate is sourced from PubChem (CID 23461996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).