(9aS)-3,6,9,9a-tetrahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione

C8H10N2O2 — CID 45088897

IUPAC(9aS)-3,6,9,9a-tetrahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione
SMILESO=C1NCC(=O)N2CC=CC[C@@H]12
InChIInChI=1S/C8H10N2O2/c11-7-5-9-8(12)6-3-1-2-4-10(6)7/h1-2,6H,3-5H2,(H,9,12)/t6-/m0/s1
InChIKeyPALFNRKPVIXXLR-LURJTMIESA-N
MW166.18 g/mol
LogP-0.73
Rot. Bonds

About (9aS)-3,6,9,9a-tetrahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione

(9aS)-3,6,9,9a-tetrahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 45088897) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is (9aS)-3,6,9,9a-tetrahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name(9aS)-3,6,9,9a-tetrahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione
PubChem CID45088897
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name(9aS)-3,6,9,9a-tetrahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione
SMILESO=C1NCC(=O)N2CC=CC[C@@H]12
InChIInChI=1S/C8H10N2O2/c11-7-5-9-8(12)6-3-1-2-4-10(6)7/h1-2,6H,3-5H2,(H,9,12)/t6-/m0/s1
InChIKeyPALFNRKPVIXXLR-LURJTMIESA-N
XLogP-0.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 12152578
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CID 22665425
Tetrahydroquinoxalin-2-one
CID 66871626
3,9-Diazabicyclo[3.3.1]non-6-en-2-one
CID 69409088
Tetrahydroquinoxalin-3-one
CID 129791418
N-cyclohex-3-en-1-yl-1-propan-2-ylpiperidine-2-carboxamide
CID 72001115
7,9-Diazabicyclo[4.2.2]dec-3-ene-8,10-dione
CID 5255402
Methylenequinoxalin-2,3(1h,4h)-dione
CID 129864268
2-[(6Z)-9-acetamido-1-methyl-3,10-dioxo-2,5,8,9-tetrahydro-1,4-diazecin-4-yl]-N-methylacetamide
CID 134836525
methyl (4aR,8aS)-3-oxo-2,4,4a,7,8,8a-hexahydroquinoxaline-1-carboxylate
CID 139233986
1-{2-[(2R*,6R*)-2-allyl-6-methyl-3,6-dihydropyridin-1(2H)-yl]-2-oxoethyl}piperazine
CID 56872505
(3Z)-7,9-diazabicyclo[4.2.2]dec-3-ene-8,10-dione
CID 6313653

Frequently Asked Questions

What is the IUPAC name of (9aS)-3,6,9,9a-tetrahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of (9aS)-3,6,9,9a-tetrahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione (CID 45088897) is (9aS)-3,6,9,9a-tetrahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for (9aS)-3,6,9,9a-tetrahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for (9aS)-3,6,9,9a-tetrahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione is O=C1NCC(=O)N2CC=CC[C@@H]12.
What is the InChIKey of (9aS)-3,6,9,9a-tetrahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is PALFNRKPVIXXLR-LURJTMIESA-N. The full InChI is InChI=1S/C8H10N2O2/c11-7-5-9-8(12)6-3-1-2-4-10(6)7/h1-2,6H,3-5H2,(H,9,12)/t6-/m0/s1.
What are the key properties of (9aS)-3,6,9,9a-tetrahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione?
(9aS)-3,6,9,9a-tetrahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione has a molecular weight of 166.18 g/mol, XLogP of -0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9aS)-3,6,9,9a-tetrahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 45088897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).