6-(4-methoxyphenyl)-7-prop-2-enyl-5H-pyrrolo[2,3-b]pyrazine

C16H15N3O — CID 6538787

IUPAC6-(4-methoxyphenyl)-7-prop-2-enyl-5H-pyrrolo[2,3-b]pyrazine
SMILESC=CCc1c(-c2ccc(OC)cc2)[nH]c2nccnc12
InChIInChI=1S/C16H15N3O/c1-3-4-13-14(11-5-7-12(20-2)8-6-11)19-16-15(13)17-9-10-18-16/h3,5-10H,1,4H2,2H3,(H,18,19)
InChIKeyRYNPAHUWYURCCW-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.36
Rot. Bonds4

About 6-(4-methoxyphenyl)-7-prop-2-enyl-5H-pyrrolo[2,3-b]pyrazine

6-(4-methoxyphenyl)-7-prop-2-enyl-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 6538787) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-7-prop-2-enyl-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-7-prop-2-enyl-5H-pyrrolo[2,3-b]pyrazine
PubChem CID6538787
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name6-(4-methoxyphenyl)-7-prop-2-enyl-5H-pyrrolo[2,3-b]pyrazine
SMILESC=CCc1c(-c2ccc(OC)cc2)[nH]c2nccnc12
InChIInChI=1S/C16H15N3O/c1-3-4-13-14(11-5-7-12(20-2)8-6-11)19-16-15(13)17-9-10-18-16/h3,5-10H,1,4H2,2H3,(H,18,19)
InChIKeyRYNPAHUWYURCCW-UHFFFAOYSA-N
XLogP3.36
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-(4-methoxyphenyl)-7-prop-2-enyl-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 6-(4-methoxyphenyl)-7-prop-2-enyl-5H-pyrrolo[2,3-b]pyrazine (CID 6538787) is 6-(4-methoxyphenyl)-7-prop-2-enyl-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 6-(4-methoxyphenyl)-7-prop-2-enyl-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 6-(4-methoxyphenyl)-7-prop-2-enyl-5H-pyrrolo[2,3-b]pyrazine is C=CCc1c(-c2ccc(OC)cc2)[nH]c2nccnc12.
What is the InChIKey of 6-(4-methoxyphenyl)-7-prop-2-enyl-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is RYNPAHUWYURCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-3-4-13-14(11-5-7-12(20-2)8-6-11)19-16-15(13)17-9-10-18-16/h3,5-10H,1,4H2,2H3,(H,18,19).
What are the key properties of 6-(4-methoxyphenyl)-7-prop-2-enyl-5H-pyrrolo[2,3-b]pyrazine?
6-(4-methoxyphenyl)-7-prop-2-enyl-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 265.32 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-7-prop-2-enyl-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 6538787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).