3-oxo-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine-5-carboxylic acid

C8H12N2O3 — CID 105440994

IUPAC3-oxo-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)C1CCCC2CNC(=O)N21
InChIInChI=1S/C8H12N2O3/c11-7(12)6-3-1-2-5-4-9-8(13)10(5)6/h5-6H,1-4H2,(H,9,13)(H,11,12)
InChIKeyFFNJTWAAFQMRBP-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.02
Rot. Bonds1

About 3-oxo-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine-5-carboxylic acid

3-oxo-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 105440994) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 3-oxo-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-oxo-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine-5-carboxylic acid
PubChem CID105440994
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name3-oxo-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)C1CCCC2CNC(=O)N21
InChIInChI=1S/C8H12N2O3/c11-7(12)6-3-1-2-5-4-9-8(13)10(5)6/h5-6H,1-4H2,(H,9,13)(H,11,12)
InChIKeyFFNJTWAAFQMRBP-UHFFFAOYSA-N
XLogP0.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 3-oxo-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine-5-carboxylic acid (CID 105440994) is 3-oxo-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-oxo-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 3-oxo-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine-5-carboxylic acid is O=C(O)C1CCCC2CNC(=O)N21.
What is the InChIKey of 3-oxo-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is FFNJTWAAFQMRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c11-7(12)6-3-1-2-5-4-9-8(13)10(5)6/h5-6H,1-4H2,(H,9,13)(H,11,12).
What are the key properties of 3-oxo-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine-5-carboxylic acid?
3-oxo-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 184.19 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 105440994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).