(7R)-7-fluoro-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione

C7H7FN2O2 — CID 67316925

IUPAC(7R)-7-fluoro-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione
SMILESO=C1NCC(=O)N2C[C@H](F)C=C12
InChIInChI=1S/C7H7FN2O2/c8-4-1-5-7(12)9-2-6(11)10(5)3-4/h1,4H,2-3H2,(H,9,12)/t4-/m1/s1
InChIKeyTZGCYKJWRJQVGA-SCSAIBSYSA-N
MW170.14 g/mol
LogP-0.82
Rot. Bonds

About (7R)-7-fluoro-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione

(7R)-7-fluoro-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 67316925) has the molecular formula C7H7FN2O2 and a molecular weight of 170.14 g/mol. Its IUPAC name is (7R)-7-fluoro-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name(7R)-7-fluoro-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID67316925
Molecular FormulaC7H7FN2O2
Molecular Weight170.14 g/mol
Exact Mass170.05
IUPAC Name(7R)-7-fluoro-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione
SMILESO=C1NCC(=O)N2C[C@H](F)C=C12
InChIInChI=1S/C7H7FN2O2/c8-4-1-5-7(12)9-2-6(11)10(5)3-4/h1,4H,2-3H2,(H,9,12)/t4-/m1/s1
InChIKeyTZGCYKJWRJQVGA-SCSAIBSYSA-N
XLogP-0.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (7R)-7-fluoro-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7R)-7-fluoro-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of (7R)-7-fluoro-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione (CID 67316925) is (7R)-7-fluoro-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for (7R)-7-fluoro-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for (7R)-7-fluoro-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione is O=C1NCC(=O)N2C[C@H](F)C=C12.
What is the InChIKey of (7R)-7-fluoro-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is TZGCYKJWRJQVGA-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H7FN2O2/c8-4-1-5-7(12)9-2-6(11)10(5)3-4/h1,4H,2-3H2,(H,9,12)/t4-/m1/s1.
What are the key properties of (7R)-7-fluoro-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione?
(7R)-7-fluoro-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 170.14 g/mol, XLogP of -0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-fluoro-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 67316925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).