4-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]-1H-pyridin-2-one

C15H13NO3 — CID 135478696

IUPAC4-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]-1H-pyridin-2-one
SMILESCc1cc(O)c(C(=O)/C=C/c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C15H13NO3/c1-10-9-13(18)14(15(19)16-10)12(17)8-7-11-5-3-2-4-6-11/h2-9H,1H3,(H2,16,18,19)/b8-7+
InChIKeyZQHINLPUAOUSLI-BQYQJAHWSA-N
MW255.27 g/mol
LogP2.29
Rot. Bonds3

About 4-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]-1H-pyridin-2-one

4-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]-1H-pyridin-2-one (PubChem CID 135478696) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]-1H-pyridin-2-one
PubChem CID135478696
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name4-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]-1H-pyridin-2-one
SMILESCc1cc(O)c(C(=O)/C=C/c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C15H13NO3/c1-10-9-13(18)14(15(19)16-10)12(17)8-7-11-5-3-2-4-6-11/h2-9H,1H3,(H2,16,18,19)/b8-7+
InChIKeyZQHINLPUAOUSLI-BQYQJAHWSA-N
XLogP2.29
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]-1H-pyridin-2-one (CID 135478696) is 4-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]-1H-pyridin-2-one is Cc1cc(O)c(C(=O)/C=C/c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]-1H-pyridin-2-one?
The InChIKey is ZQHINLPUAOUSLI-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H13NO3/c1-10-9-13(18)14(15(19)16-10)12(17)8-7-11-5-3-2-4-6-11/h2-9H,1H3,(H2,16,18,19)/b8-7+.
What are the key properties of 4-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]-1H-pyridin-2-one?
4-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]-1H-pyridin-2-one has a molecular weight of 255.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]-1H-pyridin-2-one is sourced from PubChem (CID 135478696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).