2-[4-[2-(2-oxo-1-pyridinyl)prop-2-enoyl]phenyl]acetic acid

C16H13NO4 — CID 3007387

IUPAC2-[4-[2-(2-oxo-1-pyridinyl)prop-2-enoyl]phenyl]acetic acid
SMILESC=C(C(=O)c1ccc(CC(=O)O)cc1)n1ccccc1=O
InChIInChI=1S/C16H13NO4/c1-11(17-9-3-2-4-14(17)18)16(21)13-7-5-12(6-8-13)10-15(19)20/h2-9H,1,10H2,(H,19,20)
InChIKeyMUZCUTGMJWJYOE-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.83
Rot. Bonds5

About 2-[4-[2-(2-oxo-1-pyridinyl)prop-2-enoyl]phenyl]acetic acid

2-[4-[2-(2-oxo-1-pyridinyl)prop-2-enoyl]phenyl]acetic acid (PubChem CID 3007387) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-[4-[2-(2-oxo-1-pyridinyl)prop-2-enoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(2-oxo-1-pyridinyl)prop-2-enoyl]phenyl]acetic acid
PubChem CID3007387
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name2-[4-[2-(2-oxo-1-pyridinyl)prop-2-enoyl]phenyl]acetic acid
SMILESC=C(C(=O)c1ccc(CC(=O)O)cc1)n1ccccc1=O
InChIInChI=1S/C16H13NO4/c1-11(17-9-3-2-4-14(17)18)16(21)13-7-5-12(6-8-13)10-15(19)20/h2-9H,1,10H2,(H,19,20)
InChIKeyMUZCUTGMJWJYOE-UHFFFAOYSA-N
XLogP1.83
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-oxo-1-pyridinyl)prop-2-enoyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[2-(2-oxo-1-pyridinyl)prop-2-enoyl]phenyl]acetic acid (CID 3007387) is 2-[4-[2-(2-oxo-1-pyridinyl)prop-2-enoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[2-(2-oxo-1-pyridinyl)prop-2-enoyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[2-(2-oxo-1-pyridinyl)prop-2-enoyl]phenyl]acetic acid is C=C(C(=O)c1ccc(CC(=O)O)cc1)n1ccccc1=O.
What is the InChIKey of 2-[4-[2-(2-oxo-1-pyridinyl)prop-2-enoyl]phenyl]acetic acid?
The InChIKey is MUZCUTGMJWJYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-11(17-9-3-2-4-14(17)18)16(21)13-7-5-12(6-8-13)10-15(19)20/h2-9H,1,10H2,(H,19,20).
What are the key properties of 2-[4-[2-(2-oxo-1-pyridinyl)prop-2-enoyl]phenyl]acetic acid?
2-[4-[2-(2-oxo-1-pyridinyl)prop-2-enoyl]phenyl]acetic acid has a molecular weight of 283.28 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-oxo-1-pyridinyl)prop-2-enoyl]phenyl]acetic acid is sourced from PubChem (CID 3007387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).