(9aR)-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione

C8H12N2O2 — CID 66936119

IUPAC(9aR)-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione
SMILESO=C1NCC(=O)N2CCCC[C@H]12
InChIInChI=1S/C8H12N2O2/c11-7-5-9-8(12)6-3-1-2-4-10(6)7/h6H,1-5H2,(H,9,12)/t6-/m1/s1
InChIKeyYXBLPNSWHUPKPH-ZCFIWIBFSA-N
MW168.20 g/mol
LogP-0.50
Rot. Bonds

About (9aR)-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione

(9aR)-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 66936119) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (9aR)-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name(9aR)-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione
PubChem CID66936119
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(9aR)-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione
SMILESO=C1NCC(=O)N2CCCC[C@H]12
InChIInChI=1S/C8H12N2O2/c11-7-5-9-8(12)6-3-1-2-4-10(6)7/h6H,1-5H2,(H,9,12)/t6-/m1/s1
InChIKeyYXBLPNSWHUPKPH-ZCFIWIBFSA-N
XLogP-0.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (9aR)-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione with MolForge

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Related Compounds

octahydro-1H-pyrido[1,2-a]piperazin-1-one
CID 204214
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-cyclohexylacetamide
CID 49853576
Hexahydro-1H-pyrido[1,2-A]pyrazin-3(2H)-one
CID 282263
(2S)-aminobutyryl-(R)-pipecolinic acid amide
CID 11672950
(9aS)-4,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,3-dione
CID 57327941
(9aR)-4,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,3-dione
CID 57327942
(3S)-3-(4-Aminobutyl)piperazine-2,5-dione
CID 45115653
(3S,6S)-3-Butyl-6-methylpiperazine-2,5-dione
CID 89835123
octahydro-1H-pyrido(1,2-a)piperazine-1,4-dione
CID 10535107
(9aS)-octahydro-1H-pyrido[1,2-a]piperazine-1,4-dione
CID 68674604
Decahydro-1,7-naphthyridin-8-one
CID 119054454
3-(4-Aminobutyl)-6-methylpiperazine-2,5-dione
CID 10035657

Frequently Asked Questions

What is the IUPAC name of (9aR)-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of (9aR)-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione (CID 66936119) is (9aR)-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for (9aR)-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for (9aR)-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione is O=C1NCC(=O)N2CCCC[C@H]12.
What is the InChIKey of (9aR)-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is YXBLPNSWHUPKPH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12N2O2/c11-7-5-9-8(12)6-3-1-2-4-10(6)7/h6H,1-5H2,(H,9,12)/t6-/m1/s1.
What are the key properties of (9aR)-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione?
(9aR)-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione has a molecular weight of 168.20 g/mol, XLogP of -0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 66936119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).