1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-methyl-2-oxopyridine-3-carboxylic acid

C16H15NO4 — CID 79219227

IUPAC1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1CC1COc2ccccc21
InChIInChI=1S/C16H15NO4/c1-10-6-7-13(16(19)20)15(18)17(10)8-11-9-21-14-5-3-2-4-12(11)14/h2-7,11H,8-9H2,1H3,(H,19,20)
InChIKeyZESVAFQLTNGSTI-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.03
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-methyl-2-oxopyridine-3-carboxylic acid

1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 79219227) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID79219227
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1CC1COc2ccccc21
InChIInChI=1S/C16H15NO4/c1-10-6-7-13(16(19)20)15(18)17(10)8-11-9-21-14-5-3-2-4-12(11)14/h2-7,11H,8-9H2,1H3,(H,19,20)
InChIKeyZESVAFQLTNGSTI-UHFFFAOYSA-N
XLogP2.03
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-methyl-2-oxopyridine-3-carboxylic acid (CID 79219227) is 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-methyl-2-oxopyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(=O)n1CC1COc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is ZESVAFQLTNGSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-10-6-7-13(16(19)20)15(18)17(10)8-11-9-21-14-5-3-2-4-12(11)14/h2-7,11H,8-9H2,1H3,(H,19,20).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 79219227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).