(E)-7-[5-(4-prop-2-enoxyphenyl)pyrazin-2-yl]hept-6-en-2-ol

C20H24N2O2 — CID 70264433

IUPAC(E)-7-[5-(4-prop-2-enoxyphenyl)pyrazin-2-yl]hept-6-en-2-ol
SMILESC=CCOc1ccc(-c2cnc(/C=C/CCCC(C)O)cn2)cc1
InChIInChI=1S/C20H24N2O2/c1-3-13-24-19-11-9-17(10-12-19)20-15-21-18(14-22-20)8-6-4-5-7-16(2)23/h3,6,8-12,14-16,23H,1,4-5,7,13H2,2H3/b8-6+
InChIKeyFLFPJRCISAPJJL-SOFGYWHQSA-N
MW324.42 g/mol
LogP4.27
Rot. Bonds9

About (E)-7-[5-(4-prop-2-enoxyphenyl)pyrazin-2-yl]hept-6-en-2-ol

(E)-7-[5-(4-prop-2-enoxyphenyl)pyrazin-2-yl]hept-6-en-2-ol (PubChem CID 70264433) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (E)-7-[5-(4-prop-2-enoxyphenyl)pyrazin-2-yl]hept-6-en-2-ol.

Molecular Properties

Compound Name(E)-7-[5-(4-prop-2-enoxyphenyl)pyrazin-2-yl]hept-6-en-2-ol
PubChem CID70264433
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(E)-7-[5-(4-prop-2-enoxyphenyl)pyrazin-2-yl]hept-6-en-2-ol
SMILESC=CCOc1ccc(-c2cnc(/C=C/CCCC(C)O)cn2)cc1
InChIInChI=1S/C20H24N2O2/c1-3-13-24-19-11-9-17(10-12-19)20-15-21-18(14-22-20)8-6-4-5-7-16(2)23/h3,6,8-12,14-16,23H,1,4-5,7,13H2,2H3/b8-6+
InChIKeyFLFPJRCISAPJJL-SOFGYWHQSA-N
XLogP4.27
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-7-[5-(4-prop-2-enoxyphenyl)pyrazin-2-yl]hept-6-en-2-ol?
The IUPAC name of (E)-7-[5-(4-prop-2-enoxyphenyl)pyrazin-2-yl]hept-6-en-2-ol (CID 70264433) is (E)-7-[5-(4-prop-2-enoxyphenyl)pyrazin-2-yl]hept-6-en-2-ol.
What is the SMILES notation for (E)-7-[5-(4-prop-2-enoxyphenyl)pyrazin-2-yl]hept-6-en-2-ol?
The canonical SMILES for (E)-7-[5-(4-prop-2-enoxyphenyl)pyrazin-2-yl]hept-6-en-2-ol is C=CCOc1ccc(-c2cnc(/C=C/CCCC(C)O)cn2)cc1.
What is the InChIKey of (E)-7-[5-(4-prop-2-enoxyphenyl)pyrazin-2-yl]hept-6-en-2-ol?
The InChIKey is FLFPJRCISAPJJL-SOFGYWHQSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-13-24-19-11-9-17(10-12-19)20-15-21-18(14-22-20)8-6-4-5-7-16(2)23/h3,6,8-12,14-16,23H,1,4-5,7,13H2,2H3/b8-6+.
What are the key properties of (E)-7-[5-(4-prop-2-enoxyphenyl)pyrazin-2-yl]hept-6-en-2-ol?
(E)-7-[5-(4-prop-2-enoxyphenyl)pyrazin-2-yl]hept-6-en-2-ol has a molecular weight of 324.42 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[5-(4-prop-2-enoxyphenyl)pyrazin-2-yl]hept-6-en-2-ol is sourced from PubChem (CID 70264433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).