2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxylic acid

C11H13NO3 — CID 6484266

IUPAC2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c([nH]c1=O)CCCCC2
InChIInChI=1S/C11H13NO3/c13-10-8(11(14)15)6-7-4-2-1-3-5-9(7)12-10/h6H,1-5H2,(H,12,13)(H,14,15)
InChIKeyLJABIYWOOVOKRK-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.34
Rot. Bonds1

About 2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxylic acid

2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxylic acid (PubChem CID 6484266) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxylic acid
PubChem CID6484266
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c([nH]c1=O)CCCCC2
InChIInChI=1S/C11H13NO3/c13-10-8(11(14)15)6-7-4-2-1-3-5-9(7)12-10/h6H,1-5H2,(H,12,13)(H,14,15)
InChIKeyLJABIYWOOVOKRK-UHFFFAOYSA-N
XLogP1.34
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxylic acid (CID 6484266) is 2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxylic acid is O=C(O)c1cc2c([nH]c1=O)CCCCC2.
What is the InChIKey of 2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxylic acid?
The InChIKey is LJABIYWOOVOKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-10-8(11(14)15)6-7-4-2-1-3-5-9(7)12-10/h6H,1-5H2,(H,12,13)(H,14,15).
What are the key properties of 2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxylic acid?
2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 6484266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).