(9aS)-1,2,3,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-4-one

C8H14N2O — CID 45099412

IUPAC(9aS)-1,2,3,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-4-one
SMILESO=C1CNC[C@@H]2CCCCN12
InChIInChI=1S/C8H14N2O/c11-8-6-9-5-7-3-1-2-4-10(7)8/h7,9H,1-6H2/t7-/m0/s1
InChIKeyDPTQSVONRGAROK-ZETCQYMHSA-N
MW154.21 g/mol
LogP-0.03
Rot. Bonds

About (9aS)-1,2,3,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-4-one

(9aS)-1,2,3,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-4-one (PubChem CID 45099412) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (9aS)-1,2,3,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-4-one.

Molecular Properties

Compound Name(9aS)-1,2,3,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-4-one
PubChem CID45099412
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(9aS)-1,2,3,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-4-one
SMILESO=C1CNC[C@@H]2CCCCN12
InChIInChI=1S/C8H14N2O/c11-8-6-9-5-7-3-1-2-4-10(7)8/h7,9H,1-6H2/t7-/m0/s1
InChIKeyDPTQSVONRGAROK-ZETCQYMHSA-N
XLogP-0.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (9aS)-1,2,3,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-4-one?
The IUPAC name of (9aS)-1,2,3,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-4-one (CID 45099412) is (9aS)-1,2,3,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-4-one.
What is the SMILES notation for (9aS)-1,2,3,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-4-one?
The canonical SMILES for (9aS)-1,2,3,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-4-one is O=C1CNC[C@@H]2CCCCN12.
What is the InChIKey of (9aS)-1,2,3,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-4-one?
The InChIKey is DPTQSVONRGAROK-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14N2O/c11-8-6-9-5-7-3-1-2-4-10(7)8/h7,9H,1-6H2/t7-/m0/s1.
What are the key properties of (9aS)-1,2,3,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-4-one?
(9aS)-1,2,3,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-4-one has a molecular weight of 154.21 g/mol, XLogP of -0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9aS)-1,2,3,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-4-one is sourced from PubChem (CID 45099412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).