(E)-4-[4-(4-oxo-1-pyridinyl)phenyl]but-3-enoic acid

C15H13NO3 — CID 15045273

IUPAC(E)-4-[4-(4-oxo-1-pyridinyl)phenyl]but-3-enoic acid
SMILESO=C(O)C/C=C/c1ccc(-n2ccc(=O)cc2)cc1
InChIInChI=1S/C15H13NO3/c17-14-8-10-16(11-9-14)13-6-4-12(5-7-13)2-1-3-15(18)19/h1-2,4-11H,3H2,(H,18,19)/b2-1+
InChIKeyPLRUYDBAMLIKGU-OWOJBTEDSA-N
MW255.27 g/mol
LogP2.33
Rot. Bonds4

About (E)-4-[4-(4-oxo-1-pyridinyl)phenyl]but-3-enoic acid

(E)-4-[4-(4-oxo-1-pyridinyl)phenyl]but-3-enoic acid (PubChem CID 15045273) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is (E)-4-[4-(4-oxo-1-pyridinyl)phenyl]but-3-enoic acid.

Molecular Properties

Compound Name(E)-4-[4-(4-oxo-1-pyridinyl)phenyl]but-3-enoic acid
PubChem CID15045273
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name(E)-4-[4-(4-oxo-1-pyridinyl)phenyl]but-3-enoic acid
SMILESO=C(O)C/C=C/c1ccc(-n2ccc(=O)cc2)cc1
InChIInChI=1S/C15H13NO3/c17-14-8-10-16(11-9-14)13-6-4-12(5-7-13)2-1-3-15(18)19/h1-2,4-11H,3H2,(H,18,19)/b2-1+
InChIKeyPLRUYDBAMLIKGU-OWOJBTEDSA-N
XLogP2.33
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-4-[4-(4-oxo-1-pyridinyl)phenyl]but-3-enoic acid?
The IUPAC name of (E)-4-[4-(4-oxo-1-pyridinyl)phenyl]but-3-enoic acid (CID 15045273) is (E)-4-[4-(4-oxo-1-pyridinyl)phenyl]but-3-enoic acid.
What is the SMILES notation for (E)-4-[4-(4-oxo-1-pyridinyl)phenyl]but-3-enoic acid?
The canonical SMILES for (E)-4-[4-(4-oxo-1-pyridinyl)phenyl]but-3-enoic acid is O=C(O)C/C=C/c1ccc(-n2ccc(=O)cc2)cc1.
What is the InChIKey of (E)-4-[4-(4-oxo-1-pyridinyl)phenyl]but-3-enoic acid?
The InChIKey is PLRUYDBAMLIKGU-OWOJBTEDSA-N. The full InChI is InChI=1S/C15H13NO3/c17-14-8-10-16(11-9-14)13-6-4-12(5-7-13)2-1-3-15(18)19/h1-2,4-11H,3H2,(H,18,19)/b2-1+.
What are the key properties of (E)-4-[4-(4-oxo-1-pyridinyl)phenyl]but-3-enoic acid?
(E)-4-[4-(4-oxo-1-pyridinyl)phenyl]but-3-enoic acid has a molecular weight of 255.27 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[4-(4-oxo-1-pyridinyl)phenyl]but-3-enoic acid is sourced from PubChem (CID 15045273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).