2-[(E)-prop-1-enyl]pyrazine

C7H8N2 — CID 5370825

IUPAC2-[(E)-prop-1-enyl]pyrazine
SMILESC/C=C/c1cnccn1
InChIInChI=1S/C7H8N2/c1-2-3-7-6-8-4-5-9-7/h2-6H,1H3/b3-2+
InChIKeyZBHYPERRXYKXGT-NSCUHMNNSA-N
MW120.15 g/mol
LogP1.51
Rot. Bonds1

About 2-[(E)-prop-1-enyl]pyrazine

2-[(E)-prop-1-enyl]pyrazine (PubChem CID 5370825) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 2-[(E)-prop-1-enyl]pyrazine.

Molecular Properties

Compound Name2-[(E)-prop-1-enyl]pyrazine
PubChem CID5370825
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name2-[(E)-prop-1-enyl]pyrazine
SMILESC/C=C/c1cnccn1
InChIInChI=1S/C7H8N2/c1-2-3-7-6-8-4-5-9-7/h2-6H,1H3/b3-2+
InChIKeyZBHYPERRXYKXGT-NSCUHMNNSA-N
XLogP1.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-prop-1-enyl]pyrazine?
The IUPAC name of 2-[(E)-prop-1-enyl]pyrazine (CID 5370825) is 2-[(E)-prop-1-enyl]pyrazine.
What is the SMILES notation for 2-[(E)-prop-1-enyl]pyrazine?
The canonical SMILES for 2-[(E)-prop-1-enyl]pyrazine is C/C=C/c1cnccn1.
What is the InChIKey of 2-[(E)-prop-1-enyl]pyrazine?
The InChIKey is ZBHYPERRXYKXGT-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H8N2/c1-2-3-7-6-8-4-5-9-7/h2-6H,1H3/b3-2+.
What are the key properties of 2-[(E)-prop-1-enyl]pyrazine?
2-[(E)-prop-1-enyl]pyrazine has a molecular weight of 120.15 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-prop-1-enyl]pyrazine is sourced from PubChem (CID 5370825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).