1-oxo-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-8-carboxylic acid

C9H14N2O3 — CID 19814209

IUPAC1-oxo-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-8-carboxylic acid
SMILESO=C(O)C1CCN2CCNC(=O)C2C1
InChIInChI=1S/C9H14N2O3/c12-8-7-5-6(9(13)14)1-3-11(7)4-2-10-8/h6-7H,1-5H2,(H,10,12)(H,13,14)
InChIKeyYCVLMKCQTGWZFQ-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.72
Rot. Bonds1

About 1-oxo-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-8-carboxylic acid

1-oxo-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-8-carboxylic acid (PubChem CID 19814209) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-oxo-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-8-carboxylic acid.

Molecular Properties

Compound Name1-oxo-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-8-carboxylic acid
PubChem CID19814209
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name1-oxo-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-8-carboxylic acid
SMILESO=C(O)C1CCN2CCNC(=O)C2C1
InChIInChI=1S/C9H14N2O3/c12-8-7-5-6(9(13)14)1-3-11(7)4-2-10-8/h6-7H,1-5H2,(H,10,12)(H,13,14)
InChIKeyYCVLMKCQTGWZFQ-UHFFFAOYSA-N
XLogP-0.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-8-carboxylic acid?
The IUPAC name of 1-oxo-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-8-carboxylic acid (CID 19814209) is 1-oxo-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-8-carboxylic acid.
What is the SMILES notation for 1-oxo-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-8-carboxylic acid?
The canonical SMILES for 1-oxo-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-8-carboxylic acid is O=C(O)C1CCN2CCNC(=O)C2C1.
What is the InChIKey of 1-oxo-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-8-carboxylic acid?
The InChIKey is YCVLMKCQTGWZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c12-8-7-5-6(9(13)14)1-3-11(7)4-2-10-8/h6-7H,1-5H2,(H,10,12)(H,13,14).
What are the key properties of 1-oxo-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-8-carboxylic acid?
1-oxo-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-8-carboxylic acid has a molecular weight of 198.22 g/mol, XLogP of -0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-8-carboxylic acid is sourced from PubChem (CID 19814209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).