2-(3-prop-2-enyl-1,4-dioxin-2-yl)pyrazine

C11H10N2O2 — CID 175265567

IUPAC2-(3-prop-2-enyl-1,4-dioxin-2-yl)pyrazine
SMILESC=CCC1=C(c2cnccn2)OC=CO1
InChIInChI=1S/C11H10N2O2/c1-2-3-10-11(15-7-6-14-10)9-8-12-4-5-13-9/h2,4-8H,1,3H2
InChIKeyDYPQNQWCMZMCHG-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.24
Rot. Bonds3

About 2-(3-prop-2-enyl-1,4-dioxin-2-yl)pyrazine

2-(3-prop-2-enyl-1,4-dioxin-2-yl)pyrazine (PubChem CID 175265567) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-(3-prop-2-enyl-1,4-dioxin-2-yl)pyrazine.

Molecular Properties

Compound Name2-(3-prop-2-enyl-1,4-dioxin-2-yl)pyrazine
PubChem CID175265567
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2-(3-prop-2-enyl-1,4-dioxin-2-yl)pyrazine
SMILESC=CCC1=C(c2cnccn2)OC=CO1
InChIInChI=1S/C11H10N2O2/c1-2-3-10-11(15-7-6-14-10)9-8-12-4-5-13-9/h2,4-8H,1,3H2
InChIKeyDYPQNQWCMZMCHG-UHFFFAOYSA-N
XLogP2.24
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-prop-2-enyl-1,4-dioxin-2-yl)pyrazine?
The IUPAC name of 2-(3-prop-2-enyl-1,4-dioxin-2-yl)pyrazine (CID 175265567) is 2-(3-prop-2-enyl-1,4-dioxin-2-yl)pyrazine.
What is the SMILES notation for 2-(3-prop-2-enyl-1,4-dioxin-2-yl)pyrazine?
The canonical SMILES for 2-(3-prop-2-enyl-1,4-dioxin-2-yl)pyrazine is C=CCC1=C(c2cnccn2)OC=CO1.
What is the InChIKey of 2-(3-prop-2-enyl-1,4-dioxin-2-yl)pyrazine?
The InChIKey is DYPQNQWCMZMCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-2-3-10-11(15-7-6-14-10)9-8-12-4-5-13-9/h2,4-8H,1,3H2.
What are the key properties of 2-(3-prop-2-enyl-1,4-dioxin-2-yl)pyrazine?
2-(3-prop-2-enyl-1,4-dioxin-2-yl)pyrazine has a molecular weight of 202.21 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-prop-2-enyl-1,4-dioxin-2-yl)pyrazine is sourced from PubChem (CID 175265567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).