(3S,8aS)-3-[(4-fluorophenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

C14H15FN2O2 — CID 15790235

IUPAC(3S,8aS)-3-[(4-fluorophenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
SMILESO=C1N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC[C@@H]12
InChIInChI=1S/C14H15FN2O2/c15-10-5-3-9(4-6-10)8-11-14(19)17-7-1-2-12(17)13(18)16-11/h3-6,11-12H,1-2,7-8H2,(H,16,18)/t11-,12-/m0/s1
InChIKeyQEUBZZYHXSGWAV-RYUDHWBXSA-N
MW262.28 g/mol
LogP0.86
Rot. Bonds2

About (3S,8aS)-3-[(4-fluorophenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

(3S,8aS)-3-[(4-fluorophenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 15790235) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is (3S,8aS)-3-[(4-fluorophenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name(3S,8aS)-3-[(4-fluorophenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID15790235
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name(3S,8aS)-3-[(4-fluorophenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
SMILESO=C1N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC[C@@H]12
InChIInChI=1S/C14H15FN2O2/c15-10-5-3-9(4-6-10)8-11-14(19)17-7-1-2-12(17)13(18)16-11/h3-6,11-12H,1-2,7-8H2,(H,16,18)/t11-,12-/m0/s1
InChIKeyQEUBZZYHXSGWAV-RYUDHWBXSA-N
XLogP0.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S,8aS)-3-[(4-fluorophenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[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 (3S,8aS)-3-[(4-fluorophenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of (3S,8aS)-3-[(4-fluorophenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione (CID 15790235) is (3S,8aS)-3-[(4-fluorophenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for (3S,8aS)-3-[(4-fluorophenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for (3S,8aS)-3-[(4-fluorophenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione is O=C1N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC[C@@H]12.
What is the InChIKey of (3S,8aS)-3-[(4-fluorophenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is QEUBZZYHXSGWAV-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H15FN2O2/c15-10-5-3-9(4-6-10)8-11-14(19)17-7-1-2-12(17)13(18)16-11/h3-6,11-12H,1-2,7-8H2,(H,16,18)/t11-,12-/m0/s1.
What are the key properties of (3S,8aS)-3-[(4-fluorophenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione?
(3S,8aS)-3-[(4-fluorophenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 262.28 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,8aS)-3-[(4-fluorophenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 15790235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).