5-[(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)methyl]furan-3-carboxylic acid

C14H13NO4 — CID 113391004

IUPAC5-[(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(Cn2c3c(ccc2=O)CCC3)c1
InChIInChI=1S/C14H13NO4/c16-13-5-4-9-2-1-3-12(9)15(13)7-11-6-10(8-19-11)14(17)18/h4-6,8H,1-3,7H2,(H,17,18)
InChIKeyOEIIXOSBAKJWET-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.68
Rot. Bonds3

About 5-[(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)methyl]furan-3-carboxylic acid

5-[(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)methyl]furan-3-carboxylic acid (PubChem CID 113391004) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 5-[(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)methyl]furan-3-carboxylic acid
PubChem CID113391004
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name5-[(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(Cn2c3c(ccc2=O)CCC3)c1
InChIInChI=1S/C14H13NO4/c16-13-5-4-9-2-1-3-12(9)15(13)7-11-6-10(8-19-11)14(17)18/h4-6,8H,1-3,7H2,(H,17,18)
InChIKeyOEIIXOSBAKJWET-UHFFFAOYSA-N
XLogP1.68
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)methyl]furan-3-carboxylic acid (CID 113391004) is 5-[(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)methyl]furan-3-carboxylic acid is O=C(O)c1coc(Cn2c3c(ccc2=O)CCC3)c1.
What is the InChIKey of 5-[(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)methyl]furan-3-carboxylic acid?
The InChIKey is OEIIXOSBAKJWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c16-13-5-4-9-2-1-3-12(9)15(13)7-11-6-10(8-19-11)14(17)18/h4-6,8H,1-3,7H2,(H,17,18).
What are the key properties of 5-[(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)methyl]furan-3-carboxylic acid?
5-[(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)methyl]furan-3-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 113391004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).