(Z)-7-phenyl-7-pyridin-4-ylhept-6-enoic acid

C18H19NO2 — CID 6450501

IUPAC(Z)-7-phenyl-7-pyridin-4-ylhept-6-enoic acid
SMILESO=C(O)CCCC/C=C(/c1ccccc1)c1ccncc1
InChIInChI=1S/C18H19NO2/c20-18(21)10-6-2-5-9-17(15-7-3-1-4-8-15)16-11-13-19-14-12-16/h1,3-4,7-9,11-14H,2,5-6,10H2,(H,20,21)/b17-9-
InChIKeyLTONXWVJNJCULL-MFOYZWKCSA-N
MW281.36 g/mol
LogP4.16
Rot. Bonds7

About (Z)-7-phenyl-7-pyridin-4-ylhept-6-enoic acid

(Z)-7-phenyl-7-pyridin-4-ylhept-6-enoic acid (PubChem CID 6450501) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (Z)-7-phenyl-7-pyridin-4-ylhept-6-enoic acid.

Molecular Properties

Compound Name(Z)-7-phenyl-7-pyridin-4-ylhept-6-enoic acid
PubChem CID6450501
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(Z)-7-phenyl-7-pyridin-4-ylhept-6-enoic acid
SMILESO=C(O)CCCC/C=C(/c1ccccc1)c1ccncc1
InChIInChI=1S/C18H19NO2/c20-18(21)10-6-2-5-9-17(15-7-3-1-4-8-15)16-11-13-19-14-12-16/h1,3-4,7-9,11-14H,2,5-6,10H2,(H,20,21)/b17-9-
InChIKeyLTONXWVJNJCULL-MFOYZWKCSA-N
XLogP4.16
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.16
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 (Z)-7-phenyl-7-pyridin-4-ylhept-6-enoic acid?
The IUPAC name of (Z)-7-phenyl-7-pyridin-4-ylhept-6-enoic acid (CID 6450501) is (Z)-7-phenyl-7-pyridin-4-ylhept-6-enoic acid.
What is the SMILES notation for (Z)-7-phenyl-7-pyridin-4-ylhept-6-enoic acid?
The canonical SMILES for (Z)-7-phenyl-7-pyridin-4-ylhept-6-enoic acid is O=C(O)CCCC/C=C(/c1ccccc1)c1ccncc1.
What is the InChIKey of (Z)-7-phenyl-7-pyridin-4-ylhept-6-enoic acid?
The InChIKey is LTONXWVJNJCULL-MFOYZWKCSA-N. The full InChI is InChI=1S/C18H19NO2/c20-18(21)10-6-2-5-9-17(15-7-3-1-4-8-15)16-11-13-19-14-12-16/h1,3-4,7-9,11-14H,2,5-6,10H2,(H,20,21)/b17-9-.
What are the key properties of (Z)-7-phenyl-7-pyridin-4-ylhept-6-enoic acid?
(Z)-7-phenyl-7-pyridin-4-ylhept-6-enoic acid has a molecular weight of 281.36 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-phenyl-7-pyridin-4-ylhept-6-enoic acid is sourced from PubChem (CID 6450501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).