8-Phenyl-8-pyridin-3-yl-oct-7-enoic acid

C19H21NO2 — CID 13417259

IUPAC(Z)-8-phenyl-8-pyridin-3-yloct-7-enoic acid
SMILESC1=CC=C(C=C1)/C(=C/CCCCCC(=O)O)/C2=CN=CC=C2
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-PDGQHHTCSA-N
MW295.40 g/mol
LogP4.60
Rot. Bonds8

About 8-Phenyl-8-pyridin-3-yl-oct-7-enoic acid

8-Phenyl-8-pyridin-3-yl-oct-7-enoic acid (PubChem CID 13417259) has the molecular formula C19H21NO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is (Z)-8-phenyl-8-pyridin-3-yloct-7-enoic acid.

Molecular Properties

Compound Name8-Phenyl-8-pyridin-3-yl-oct-7-enoic acid
PubChem CID13417259
Molecular FormulaC19H21NO2
Molecular Weight295.40 g/mol
Exact Mass295.16
IUPAC Name(Z)-8-phenyl-8-pyridin-3-yloct-7-enoic acid
SMILESC1=CC=C(C=C1)/C(=C/CCCCCC(=O)O)/C2=CN=CC=C2
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-PDGQHHTCSA-N
XLogP4.60
TPSA50.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity358

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Acetic acid, (p-(1-pyrrolyl)phenyl)-
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Oky-1581
CID 23663937
Tropicamide, (R)-
CID 688595
(2E)-2-[(4-methoxy-2,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methylidene]-7-pyridin-3-ylheptanoic acid
CID 9843006
3-Pyridinebutanoic acid
CID 114
2-(Pyridin-3-yl)benzoic acid
CID 2760505
3-(Pyridin-3-yl)benzoic acid
CID 2795575

Frequently Asked Questions

What is the IUPAC name of 8-Phenyl-8-pyridin-3-yl-oct-7-enoic acid?
The IUPAC name of 8-Phenyl-8-pyridin-3-yl-oct-7-enoic acid (CID 13417259) is (Z)-8-phenyl-8-pyridin-3-yloct-7-enoic acid.
What is the SMILES notation for 8-Phenyl-8-pyridin-3-yl-oct-7-enoic acid?
The canonical SMILES for 8-Phenyl-8-pyridin-3-yl-oct-7-enoic acid is C1=CC=C(C=C1)/C(=C/CCCCCC(=O)O)/C2=CN=CC=C2.
What is the InChIKey of 8-Phenyl-8-pyridin-3-yl-oct-7-enoic acid?
The InChIKey is WSPYFANRPUFZCC-PDGQHHTCSA-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 8-Phenyl-8-pyridin-3-yl-oct-7-enoic acid?
8-Phenyl-8-pyridin-3-yl-oct-7-enoic acid has a molecular weight of 295.40 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-Phenyl-8-pyridin-3-yl-oct-7-enoic acid is sourced from PubChem (CID 13417259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).