1-[(E)-2-phenylethenyl]pyrrolo[1,2-a]pyrazine

C15H12N2 — CID 15662093

IUPAC1-[(E)-2-phenylethenyl]pyrrolo[1,2-a]pyrazine
SMILESC(=C/c1nccn2cccc12)\c1ccccc1
InChIInChI=1S/C15H12N2/c1-2-5-13(6-3-1)8-9-14-15-7-4-11-17(15)12-10-16-14/h1-12H/b9-8+
InChIKeyYKVGYLOBNRPHOF-CMDGGOBGSA-N
MW220.28 g/mol
LogP3.50
Rot. Bonds2

About 1-[(E)-2-phenylethenyl]pyrrolo[1,2-a]pyrazine

1-[(E)-2-phenylethenyl]pyrrolo[1,2-a]pyrazine (PubChem CID 15662093) has the molecular formula C15H12N2 and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-[(E)-2-phenylethenyl]pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name1-[(E)-2-phenylethenyl]pyrrolo[1,2-a]pyrazine
PubChem CID15662093
Molecular FormulaC15H12N2
Molecular Weight220.28 g/mol
Exact Mass220.10
IUPAC Name1-[(E)-2-phenylethenyl]pyrrolo[1,2-a]pyrazine
SMILESC(=C/c1nccn2cccc12)\c1ccccc1
InChIInChI=1S/C15H12N2/c1-2-5-13(6-3-1)8-9-14-15-7-4-11-17(15)12-10-16-14/h1-12H/b9-8+
InChIKeyYKVGYLOBNRPHOF-CMDGGOBGSA-N
XLogP3.50
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-phenylethenyl]pyrrolo[1,2-a]pyrazine?
The IUPAC name of 1-[(E)-2-phenylethenyl]pyrrolo[1,2-a]pyrazine (CID 15662093) is 1-[(E)-2-phenylethenyl]pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 1-[(E)-2-phenylethenyl]pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 1-[(E)-2-phenylethenyl]pyrrolo[1,2-a]pyrazine is C(=C/c1nccn2cccc12)\c1ccccc1.
What is the InChIKey of 1-[(E)-2-phenylethenyl]pyrrolo[1,2-a]pyrazine?
The InChIKey is YKVGYLOBNRPHOF-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H12N2/c1-2-5-13(6-3-1)8-9-14-15-7-4-11-17(15)12-10-16-14/h1-12H/b9-8+.
What are the key properties of 1-[(E)-2-phenylethenyl]pyrrolo[1,2-a]pyrazine?
1-[(E)-2-phenylethenyl]pyrrolo[1,2-a]pyrazine has a molecular weight of 220.28 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-phenylethenyl]pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 15662093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).