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

C7H7FN2O2 — CID 118540498

IUPAC(7S)-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-/m0/s1
InChIKeyTZGCYKJWRJQVGA-BYPYZUCNSA-N
MW170.14 g/mol
LogP-0.82
Rot. Bonds

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

(7S)-7-fluoro-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 118540498) has the molecular formula C7H7FN2O2 and a molecular weight of 170.14 g/mol. Its IUPAC name is (7S)-7-fluoro-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name(7S)-7-fluoro-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID118540498
Molecular FormulaC7H7FN2O2
Molecular Weight170.14 g/mol
Exact Mass170.05
IUPAC Name(7S)-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-/m0/s1
InChIKeyTZGCYKJWRJQVGA-BYPYZUCNSA-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

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-fluoro-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of (7S)-7-fluoro-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione (CID 118540498) is (7S)-7-fluoro-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for (7S)-7-fluoro-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for (7S)-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 (7S)-7-fluoro-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is TZGCYKJWRJQVGA-BYPYZUCNSA-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-/m0/s1.
What are the key properties of (7S)-7-fluoro-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione?
(7S)-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 (7S)-7-fluoro-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 118540498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).