4H-pyrrolo[1,2-a]pyrazine-1,3-dione

C7H6N2O2 — CID 131082784

IUPAC4H-pyrrolo[1,2-a]pyrazine-1,3-dione
SMILESO=C1Cn2cccc2C(=O)N1
InChIInChI=1S/C7H6N2O2/c10-6-4-9-3-1-2-5(9)7(11)8-6/h1-3H,4H2,(H,8,10,11)
InChIKeyBAZAMDSRHHBGCP-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.24
Rot. Bonds

About 4H-pyrrolo[1,2-a]pyrazine-1,3-dione

4H-pyrrolo[1,2-a]pyrazine-1,3-dione (PubChem CID 131082784) has the molecular formula C7H6N2O2 and a molecular weight of 150.14 g/mol. Its IUPAC name is 4H-pyrrolo[1,2-a]pyrazine-1,3-dione.

Molecular Properties

Compound Name4H-pyrrolo[1,2-a]pyrazine-1,3-dione
PubChem CID131082784
Molecular FormulaC7H6N2O2
Molecular Weight150.14 g/mol
Exact Mass150.04
IUPAC Name4H-pyrrolo[1,2-a]pyrazine-1,3-dione
SMILESO=C1Cn2cccc2C(=O)N1
InChIInChI=1S/C7H6N2O2/c10-6-4-9-3-1-2-5(9)7(11)8-6/h1-3H,4H2,(H,8,10,11)
InChIKeyBAZAMDSRHHBGCP-UHFFFAOYSA-N
XLogP-0.24
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.24
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 4H-pyrrolo[1,2-a]pyrazine-1,3-dione?
The IUPAC name of 4H-pyrrolo[1,2-a]pyrazine-1,3-dione (CID 131082784) is 4H-pyrrolo[1,2-a]pyrazine-1,3-dione.
What is the SMILES notation for 4H-pyrrolo[1,2-a]pyrazine-1,3-dione?
The canonical SMILES for 4H-pyrrolo[1,2-a]pyrazine-1,3-dione is O=C1Cn2cccc2C(=O)N1.
What is the InChIKey of 4H-pyrrolo[1,2-a]pyrazine-1,3-dione?
The InChIKey is BAZAMDSRHHBGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2/c10-6-4-9-3-1-2-5(9)7(11)8-6/h1-3H,4H2,(H,8,10,11).
What are the key properties of 4H-pyrrolo[1,2-a]pyrazine-1,3-dione?
4H-pyrrolo[1,2-a]pyrazine-1,3-dione has a molecular weight of 150.14 g/mol, XLogP of -0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyrrolo[1,2-a]pyrazine-1,3-dione is sourced from PubChem (CID 131082784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).