2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione

C7H8N2O2 — CID 45099396

IUPAC2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione
SMILESO=C1NCC(=O)N2CCC=C12
InChIInChI=1S/C7H8N2O2/c10-6-4-8-7(11)5-2-1-3-9(5)6/h2H,1,3-4H2,(H,8,11)
InChIKeySQKSYNMJFDKARV-UHFFFAOYSA-N
MW152.15 g/mol
LogP-0.77
Rot. Bonds

About 2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione

2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 45099396) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID45099396
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione
SMILESO=C1NCC(=O)N2CCC=C12
InChIInChI=1S/C7H8N2O2/c10-6-4-8-7(11)5-2-1-3-9(5)6/h2H,1,3-4H2,(H,8,11)
InChIKeySQKSYNMJFDKARV-UHFFFAOYSA-N
XLogP-0.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione (CID 45099396) is 2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione is O=C1NCC(=O)N2CCC=C12.
What is the InChIKey of 2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is SQKSYNMJFDKARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c10-6-4-8-7(11)5-2-1-3-9(5)6/h2H,1,3-4H2,(H,8,11).
What are the key properties of 2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione?
2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 152.15 g/mol, XLogP of -0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 45099396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).