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

C10H14N2O3 — CID 58812320

IUPAC(6R,9aS)-6-acetyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione
SMILESCC(=O)[C@H]1CCC[C@H]2C(=O)NCC(=O)N12
InChIInChI=1S/C10H14N2O3/c1-6(13)7-3-2-4-8-10(15)11-5-9(14)12(7)8/h7-8H,2-5H2,1H3,(H,11,15)/t7-,8+/m1/s1
InChIKeyBKXQROGCXREPER-SFYZADRCSA-N
MW210.23 g/mol
LogP-0.55
Rot. Bonds1

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

(6R,9aS)-6-acetyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 58812320) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is (6R,9aS)-6-acetyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name(6R,9aS)-6-acetyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione
PubChem CID58812320
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name(6R,9aS)-6-acetyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione
SMILESCC(=O)[C@H]1CCC[C@H]2C(=O)NCC(=O)N12
InChIInChI=1S/C10H14N2O3/c1-6(13)7-3-2-4-8-10(15)11-5-9(14)12(7)8/h7-8H,2-5H2,1H3,(H,11,15)/t7-,8+/m1/s1
InChIKeyBKXQROGCXREPER-SFYZADRCSA-N
XLogP-0.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R,9aS)-6-acetyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of (6R,9aS)-6-acetyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione (CID 58812320) is (6R,9aS)-6-acetyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for (6R,9aS)-6-acetyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for (6R,9aS)-6-acetyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione is CC(=O)[C@H]1CCC[C@H]2C(=O)NCC(=O)N12.
What is the InChIKey of (6R,9aS)-6-acetyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is BKXQROGCXREPER-SFYZADRCSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6(13)7-3-2-4-8-10(15)11-5-9(14)12(7)8/h7-8H,2-5H2,1H3,(H,11,15)/t7-,8+/m1/s1.
What are the key properties of (6R,9aS)-6-acetyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione?
(6R,9aS)-6-acetyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione has a molecular weight of 210.23 g/mol, XLogP of -0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,9aS)-6-acetyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 58812320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).