(E)-5-phenyl-5-pyridin-3-ylpent-4-enoic acid

C16H15NO2 — CID 13417257

IUPAC(E)-5-phenyl-5-pyridin-3-ylpent-4-enoic acid
SMILESO=C(O)CC/C=C(\c1ccccc1)c1cccnc1
InChIInChI=1S/C16H15NO2/c18-16(19)10-4-9-15(13-6-2-1-3-7-13)14-8-5-11-17-12-14/h1-3,5-9,11-12H,4,10H2,(H,18,19)/b15-9+
InChIKeyKZNQAVSWJQUGFG-OQLLNIDSSA-N
MW253.30 g/mol
LogP3.38
Rot. Bonds5

About (E)-5-phenyl-5-pyridin-3-ylpent-4-enoic acid

(E)-5-phenyl-5-pyridin-3-ylpent-4-enoic acid (PubChem CID 13417257) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (E)-5-phenyl-5-pyridin-3-ylpent-4-enoic acid.

Molecular Properties

Compound Name(E)-5-phenyl-5-pyridin-3-ylpent-4-enoic acid
PubChem CID13417257
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(E)-5-phenyl-5-pyridin-3-ylpent-4-enoic acid
SMILESO=C(O)CC/C=C(\c1ccccc1)c1cccnc1
InChIInChI=1S/C16H15NO2/c18-16(19)10-4-9-15(13-6-2-1-3-7-13)14-8-5-11-17-12-14/h1-3,5-9,11-12H,4,10H2,(H,18,19)/b15-9+
InChIKeyKZNQAVSWJQUGFG-OQLLNIDSSA-N
XLogP3.38
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-5-phenyl-5-pyridin-3-ylpent-4-enoic acid?
The IUPAC name of (E)-5-phenyl-5-pyridin-3-ylpent-4-enoic acid (CID 13417257) is (E)-5-phenyl-5-pyridin-3-ylpent-4-enoic acid.
What is the SMILES notation for (E)-5-phenyl-5-pyridin-3-ylpent-4-enoic acid?
The canonical SMILES for (E)-5-phenyl-5-pyridin-3-ylpent-4-enoic acid is O=C(O)CC/C=C(\c1ccccc1)c1cccnc1.
What is the InChIKey of (E)-5-phenyl-5-pyridin-3-ylpent-4-enoic acid?
The InChIKey is KZNQAVSWJQUGFG-OQLLNIDSSA-N. The full InChI is InChI=1S/C16H15NO2/c18-16(19)10-4-9-15(13-6-2-1-3-7-13)14-8-5-11-17-12-14/h1-3,5-9,11-12H,4,10H2,(H,18,19)/b15-9+.
What are the key properties of (E)-5-phenyl-5-pyridin-3-ylpent-4-enoic acid?
(E)-5-phenyl-5-pyridin-3-ylpent-4-enoic acid has a molecular weight of 253.30 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-phenyl-5-pyridin-3-ylpent-4-enoic acid is sourced from PubChem (CID 13417257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).