(9aS)-4,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,3-dione

C8H12N2O2 — CID 57327941

IUPAC(9aS)-4,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,3-dione
SMILESO=C1CN2CCCC[C@H]2C(=O)N1
InChIInChI=1S/C8H12N2O2/c11-7-5-10-4-2-1-3-6(10)8(12)9-7/h6H,1-5H2,(H,9,11,12)/t6-/m0/s1
InChIKeyFAHMPBBZKRHWJJ-LURJTMIESA-N
MW168.20 g/mol
LogP-0.50
Rot. Bonds

About (9aS)-4,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,3-dione

(9aS)-4,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,3-dione (PubChem CID 57327941) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (9aS)-4,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,3-dione.

Molecular Properties

Compound Name(9aS)-4,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,3-dione
PubChem CID57327941
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(9aS)-4,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,3-dione
SMILESO=C1CN2CCCC[C@H]2C(=O)N1
InChIInChI=1S/C8H12N2O2/c11-7-5-10-4-2-1-3-6(10)8(12)9-7/h6H,1-5H2,(H,9,11,12)/t6-/m0/s1
InChIKeyFAHMPBBZKRHWJJ-LURJTMIESA-N
XLogP-0.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
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 ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (9aS)-4,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,3-dione?
The IUPAC name of (9aS)-4,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,3-dione (CID 57327941) is (9aS)-4,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,3-dione.
What is the SMILES notation for (9aS)-4,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,3-dione?
The canonical SMILES for (9aS)-4,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,3-dione is O=C1CN2CCCC[C@H]2C(=O)N1.
What is the InChIKey of (9aS)-4,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,3-dione?
The InChIKey is FAHMPBBZKRHWJJ-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N2O2/c11-7-5-10-4-2-1-3-6(10)8(12)9-7/h6H,1-5H2,(H,9,11,12)/t6-/m0/s1.
What are the key properties of (9aS)-4,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,3-dione?
(9aS)-4,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,3-dione has a molecular weight of 168.20 g/mol, XLogP of -0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9aS)-4,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,3-dione is sourced from PubChem (CID 57327941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).