(E)-8-phenyl-8-pyridin-3-yloct-7-enoic acid

C19H21NO2 — CID 13417260

IUPAC(E)-8-phenyl-8-pyridin-3-yloct-7-enoic acid
SMILESO=C(O)CCCCC/C=C(\c1ccccc1)c1cccnc1
InChIInChI=1S/C19H21NO2/c21-19(22)13-7-2-1-6-12-18(16-9-4-3-5-10-16)17-11-8-14-20-15-17/h3-5,8-12,14-15H,1-2,6-7,13H2,(H,21,22)/b18-12+
InChIKeyWSPYFANRPUFZCC-LDADJPATSA-N
MW295.38 g/mol
LogP4.55
Rot. Bonds8

About (E)-8-phenyl-8-pyridin-3-yloct-7-enoic acid

(E)-8-phenyl-8-pyridin-3-yloct-7-enoic acid (PubChem CID 13417260) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (E)-8-phenyl-8-pyridin-3-yloct-7-enoic acid.

Molecular Properties

Compound Name(E)-8-phenyl-8-pyridin-3-yloct-7-enoic acid
PubChem CID13417260
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(E)-8-phenyl-8-pyridin-3-yloct-7-enoic acid
SMILESO=C(O)CCCCC/C=C(\c1ccccc1)c1cccnc1
InChIInChI=1S/C19H21NO2/c21-19(22)13-7-2-1-6-12-18(16-9-4-3-5-10-16)17-11-8-14-20-15-17/h3-5,8-12,14-15H,1-2,6-7,13H2,(H,21,22)/b18-12+
InChIKeyWSPYFANRPUFZCC-LDADJPATSA-N
XLogP4.55
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-8-phenyl-8-pyridin-3-yloct-7-enoic acid?
The IUPAC name of (E)-8-phenyl-8-pyridin-3-yloct-7-enoic acid (CID 13417260) is (E)-8-phenyl-8-pyridin-3-yloct-7-enoic acid.
What is the SMILES notation for (E)-8-phenyl-8-pyridin-3-yloct-7-enoic acid?
The canonical SMILES for (E)-8-phenyl-8-pyridin-3-yloct-7-enoic acid is O=C(O)CCCCC/C=C(\c1ccccc1)c1cccnc1.
What is the InChIKey of (E)-8-phenyl-8-pyridin-3-yloct-7-enoic acid?
The InChIKey is WSPYFANRPUFZCC-LDADJPATSA-N. The full InChI is InChI=1S/C19H21NO2/c21-19(22)13-7-2-1-6-12-18(16-9-4-3-5-10-16)17-11-8-14-20-15-17/h3-5,8-12,14-15H,1-2,6-7,13H2,(H,21,22)/b18-12+.
What are the key properties of (E)-8-phenyl-8-pyridin-3-yloct-7-enoic acid?
(E)-8-phenyl-8-pyridin-3-yloct-7-enoic acid has a molecular weight of 295.38 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-phenyl-8-pyridin-3-yloct-7-enoic acid is sourced from PubChem (CID 13417260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).