[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone

C10H15FN2O — CID 129373572

IUPAC[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone
SMILESO=C([C@@H]1C[C@@H]1F)N1C[C@@H]2CNC[C@H]2C1
InChIInChI=1S/C10H15FN2O/c11-9-1-8(9)10(14)13-4-6-2-12-3-7(6)5-13/h6-9,12H,1-5H2/t6-,7-,8+,9-/m0/s1
InChIKeyWJSJLTQPBJXQOW-MAUMQABQSA-N
MW198.24 g/mol
LogP0.02
Rot. Bonds1

About [(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone

[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone (PubChem CID 129373572) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is [(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone.

Molecular Properties

Compound Name[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone
PubChem CID129373572
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone
SMILESO=C([C@@H]1C[C@@H]1F)N1C[C@@H]2CNC[C@H]2C1
InChIInChI=1S/C10H15FN2O/c11-9-1-8(9)10(14)13-4-6-2-12-3-7(6)5-13/h6-9,12H,1-5H2/t6-,7-,8+,9-/m0/s1
InChIKeyWJSJLTQPBJXQOW-MAUMQABQSA-N
XLogP0.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone with MolForge

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Related Compounds

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S,4S)-2-bicyclo[2.2.2]oct-5-enyl]methanone
CID 58201411
[(1R)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-[(2R)-2-fluorocyclopropyl]methanone
CID 45110656
[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]-(2-fluorocyclopropyl)methanone
CID 67130492
[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone
CID 67130491
[(2R)-2-fluorocyclopropyl]-pyrrolidin-1-ylmethanone
CID 139324368
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(2,4-difluorophenyl)cyclopropyl]methanone;hydrochloride
CID 120659754
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]ethanone;dihydrochloride
CID 119032040
[(1R)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[(2S)-2-fluorocyclopropyl]methanone
CID 45111237
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,2-difluoropropan-1-one
CID 130815525
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3,3-dimethylbutan-1-one
CID 66211596
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(piperidin-1-yl)methanone
CID 79155027
methyl (3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 134346989

Frequently Asked Questions

What is the IUPAC name of [(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone?
The IUPAC name of [(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone (CID 129373572) is [(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone.
What is the SMILES notation for [(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone?
The canonical SMILES for [(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone is O=C([C@@H]1C[C@@H]1F)N1C[C@@H]2CNC[C@H]2C1.
What is the InChIKey of [(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone?
The InChIKey is WJSJLTQPBJXQOW-MAUMQABQSA-N. The full InChI is InChI=1S/C10H15FN2O/c11-9-1-8(9)10(14)13-4-6-2-12-3-7(6)5-13/h6-9,12H,1-5H2/t6-,7-,8+,9-/m0/s1.
What are the key properties of [(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone?
[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone has a molecular weight of 198.24 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone is sourced from PubChem (CID 129373572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).