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

C8H12N2O3 — CID 45099897

IUPAC(8S,9aR)-8-hydroxy-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione
SMILESO=C1NCC(=O)N2CC[C@H](O)C[C@H]12
InChIInChI=1S/C8H12N2O3/c11-5-1-2-10-6(3-5)8(13)9-4-7(10)12/h5-6,11H,1-4H2,(H,9,13)/t5-,6+/m0/s1
InChIKeyQMNIDDVHWKXWSC-NTSWFWBYSA-N
MW184.19 g/mol
LogP-1.53
Rot. Bonds

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

(8S,9aR)-8-hydroxy-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 45099897) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is (8S,9aR)-8-hydroxy-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name(8S,9aR)-8-hydroxy-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione
PubChem CID45099897
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name(8S,9aR)-8-hydroxy-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione
SMILESO=C1NCC(=O)N2CC[C@H](O)C[C@H]12
InChIInChI=1S/C8H12N2O3/c11-5-1-2-10-6(3-5)8(13)9-4-7(10)12/h5-6,11H,1-4H2,(H,9,13)/t5-,6+/m0/s1
InChIKeyQMNIDDVHWKXWSC-NTSWFWBYSA-N
XLogP-1.53
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8S,9aR)-8-hydroxy-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of (8S,9aR)-8-hydroxy-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione (CID 45099897) is (8S,9aR)-8-hydroxy-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for (8S,9aR)-8-hydroxy-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for (8S,9aR)-8-hydroxy-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione is O=C1NCC(=O)N2CC[C@H](O)C[C@H]12.
What is the InChIKey of (8S,9aR)-8-hydroxy-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is QMNIDDVHWKXWSC-NTSWFWBYSA-N. The full InChI is InChI=1S/C8H12N2O3/c11-5-1-2-10-6(3-5)8(13)9-4-7(10)12/h5-6,11H,1-4H2,(H,9,13)/t5-,6+/m0/s1.
What are the key properties of (8S,9aR)-8-hydroxy-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione?
(8S,9aR)-8-hydroxy-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione has a molecular weight of 184.19 g/mol, XLogP of -1.53, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,9aR)-8-hydroxy-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 45099897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).