(E)-7-pyridin-3-ylhept-6-enoic acid

C12H15NO2 — CID 13417279

IUPAC(E)-7-pyridin-3-ylhept-6-enoic acid
SMILESO=C(O)CCCC/C=C/c1cccnc1
InChIInChI=1S/C12H15NO2/c14-12(15)8-4-2-1-3-6-11-7-5-9-13-10-11/h3,5-7,9-10H,1-2,4,8H2,(H,14,15)/b6-3+
InChIKeyONEHFHOVHUKWAG-ZZXKWVIFSA-N
MW205.26 g/mol
LogP2.74
Rot. Bonds6

About (E)-7-pyridin-3-ylhept-6-enoic acid

(E)-7-pyridin-3-ylhept-6-enoic acid (PubChem CID 13417279) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (E)-7-pyridin-3-ylhept-6-enoic acid.

Molecular Properties

Compound Name(E)-7-pyridin-3-ylhept-6-enoic acid
PubChem CID13417279
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(E)-7-pyridin-3-ylhept-6-enoic acid
SMILESO=C(O)CCCC/C=C/c1cccnc1
InChIInChI=1S/C12H15NO2/c14-12(15)8-4-2-1-3-6-11-7-5-9-13-10-11/h3,5-7,9-10H,1-2,4,8H2,(H,14,15)/b6-3+
InChIKeyONEHFHOVHUKWAG-ZZXKWVIFSA-N
XLogP2.74
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.74
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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Related Compounds

4-pyridin-3-ylbut-3-enoic acid
CID 439
3-oct-1-enylpyridine
CID 67243858
7-(3-pyridin-3-ylprop-2-enoylamino)heptanoic acid
CID 74872321
(E)-4-pyridin-3-ylbut-3-enamide
CID 141387555
7-(2-chloropyrimidin-5-yl)hept-6-enoic acid
CID 170760433
10-(3-fluorophenyl)dec-9-enoic acid
CID 66874108
octadec-2-enedioic acid;pyridine-3-carboxamide
CID 175122961
(Z)-27-(4-hydroxyphenyl)heptacos-26-enoic acid
CID 177424938
7-(4-fluorophenyl)hept-6-enoic acid
CID 54475519
(E)-7-(3-benzylphenyl)hept-6-enoic acid
CID 18987223
4-[propan-2-yl-[(E)-3-pyridin-3-ylprop-2-enoyl]amino]butanoic acid
CID 60825706
(E)-10-phenyl-10-pyridin-3-yldec-9-enoic acid
CID 13417263

Frequently Asked Questions

What is the IUPAC name of (E)-7-pyridin-3-ylhept-6-enoic acid?
The IUPAC name of (E)-7-pyridin-3-ylhept-6-enoic acid (CID 13417279) is (E)-7-pyridin-3-ylhept-6-enoic acid.
What is the SMILES notation for (E)-7-pyridin-3-ylhept-6-enoic acid?
The canonical SMILES for (E)-7-pyridin-3-ylhept-6-enoic acid is O=C(O)CCCC/C=C/c1cccnc1.
What is the InChIKey of (E)-7-pyridin-3-ylhept-6-enoic acid?
The InChIKey is ONEHFHOVHUKWAG-ZZXKWVIFSA-N. The full InChI is InChI=1S/C12H15NO2/c14-12(15)8-4-2-1-3-6-11-7-5-9-13-10-11/h3,5-7,9-10H,1-2,4,8H2,(H,14,15)/b6-3+.
What are the key properties of (E)-7-pyridin-3-ylhept-6-enoic acid?
(E)-7-pyridin-3-ylhept-6-enoic acid has a molecular weight of 205.26 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-pyridin-3-ylhept-6-enoic acid is sourced from PubChem (CID 13417279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).