(3aS,4R,6aS)-5-benzyl-2-methyl-4-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione

C20H20N2O2 — CID 129497308

IUPAC(3aS,4R,6aS)-5-benzyl-2-methyl-4-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
SMILESCN1C(=O)[C@H]2[C@@H](CN(Cc3ccccc3)[C@H]2c2ccccc2)C1=O
InChIInChI=1S/C20H20N2O2/c1-21-19(23)16-13-22(12-14-8-4-2-5-9-14)18(17(16)20(21)24)15-10-6-3-7-11-15/h2-11,16-18H,12-13H2,1H3/t16-,17+,18+/m1/s1
InChIKeyDXZRRXDRZHYMIU-SQNIBIBYSA-N
MW320.39 g/mol
LogP2.47
Rot. Bonds3

About (3aS,4R,6aS)-5-benzyl-2-methyl-4-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione

(3aS,4R,6aS)-5-benzyl-2-methyl-4-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione (PubChem CID 129497308) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is (3aS,4R,6aS)-5-benzyl-2-methyl-4-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione.

Molecular Properties

Compound Name(3aS,4R,6aS)-5-benzyl-2-methyl-4-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
PubChem CID129497308
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name(3aS,4R,6aS)-5-benzyl-2-methyl-4-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
SMILESCN1C(=O)[C@H]2[C@@H](CN(Cc3ccccc3)[C@H]2c2ccccc2)C1=O
InChIInChI=1S/C20H20N2O2/c1-21-19(23)16-13-22(12-14-8-4-2-5-9-14)18(17(16)20(21)24)15-10-6-3-7-11-15/h2-11,16-18H,12-13H2,1H3/t16-,17+,18+/m1/s1
InChIKeyDXZRRXDRZHYMIU-SQNIBIBYSA-N
XLogP2.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3aR,4R,6aS)-5-benzyl-2-methyl-4-propan-2-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 129499498
(1R,2S,5S,8S)-3-benzyl-10-methyl-5-phenyl-7-oxa-3,6,10-triazatricyclo[6.3.0.02,6]undecane-9,11-dione
CID 101052904
(3S,3aR,6aS)-2-benzyl-5-phenyl-3-propan-2-yl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 15305455
(1R,2S,5S)-3-benzyl-2-phenyl-3-azabicyclo[3.1.0]hexane
CID 10857864
1-(1-benzyl-3-phenylazetidin-2-yl)ethanone
CID 86209046
5-benzyl-4-methyl-3a,4,6,6a-tetrahydrofuro[3,4-c]pyrrole-1,3-dione
CID 83851212
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CID 101250941
1-benzyl-2-methyl-4-phenylpyrrolidin-3-one
CID 174765027
(1S,4R,8aR)-2-benzyl-1,4-diphenyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 15496859
(3aR,4S,7S,7aR)-2-benzyl-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
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CID 101385103
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Frequently Asked Questions

What is the IUPAC name of (3aS,4R,6aS)-5-benzyl-2-methyl-4-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione?
The IUPAC name of (3aS,4R,6aS)-5-benzyl-2-methyl-4-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione (CID 129497308) is (3aS,4R,6aS)-5-benzyl-2-methyl-4-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione.
What is the SMILES notation for (3aS,4R,6aS)-5-benzyl-2-methyl-4-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione?
The canonical SMILES for (3aS,4R,6aS)-5-benzyl-2-methyl-4-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione is CN1C(=O)[C@H]2[C@@H](CN(Cc3ccccc3)[C@H]2c2ccccc2)C1=O.
What is the InChIKey of (3aS,4R,6aS)-5-benzyl-2-methyl-4-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione?
The InChIKey is DXZRRXDRZHYMIU-SQNIBIBYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-21-19(23)16-13-22(12-14-8-4-2-5-9-14)18(17(16)20(21)24)15-10-6-3-7-11-15/h2-11,16-18H,12-13H2,1H3/t16-,17+,18+/m1/s1.
What are the key properties of (3aS,4R,6aS)-5-benzyl-2-methyl-4-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione?
(3aS,4R,6aS)-5-benzyl-2-methyl-4-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione has a molecular weight of 320.39 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R,6aS)-5-benzyl-2-methyl-4-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione is sourced from PubChem (CID 129497308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).