1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-2-oxopyridine-4-carboxylic acid

C15H19NO4 — CID 102898721

IUPAC1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-2-oxopyridine-4-carboxylic acid
SMILESO=C(O)c1ccn(CC2CCC3(CCCC3)O2)c(=O)c1
InChIInChI=1S/C15H19NO4/c17-13-9-11(14(18)19)4-8-16(13)10-12-3-7-15(20-12)5-1-2-6-15/h4,8-9,12H,1-3,5-7,10H2,(H,18,19)
InChIKeyAXGXGFHYHXDKSF-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.04
Rot. Bonds3

About 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-2-oxopyridine-4-carboxylic acid

1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-2-oxopyridine-4-carboxylic acid (PubChem CID 102898721) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-2-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-2-oxopyridine-4-carboxylic acid
PubChem CID102898721
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-2-oxopyridine-4-carboxylic acid
SMILESO=C(O)c1ccn(CC2CCC3(CCCC3)O2)c(=O)c1
InChIInChI=1S/C15H19NO4/c17-13-9-11(14(18)19)4-8-16(13)10-12-3-7-15(20-12)5-1-2-6-15/h4,8-9,12H,1-3,5-7,10H2,(H,18,19)
InChIKeyAXGXGFHYHXDKSF-UHFFFAOYSA-N
XLogP2.04
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-2-oxopyridine-4-carboxylic acid?
The IUPAC name of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-2-oxopyridine-4-carboxylic acid (CID 102898721) is 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-2-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-2-oxopyridine-4-carboxylic acid?
The canonical SMILES for 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-2-oxopyridine-4-carboxylic acid is O=C(O)c1ccn(CC2CCC3(CCCC3)O2)c(=O)c1.
What is the InChIKey of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-2-oxopyridine-4-carboxylic acid?
The InChIKey is AXGXGFHYHXDKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c17-13-9-11(14(18)19)4-8-16(13)10-12-3-7-15(20-12)5-1-2-6-15/h4,8-9,12H,1-3,5-7,10H2,(H,18,19).
What are the key properties of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-2-oxopyridine-4-carboxylic acid?
1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-2-oxopyridine-4-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-2-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 102898721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).