(3S,3aR,6aS)-2-benzyl-5-phenyl-3-propan-2-yl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione

C22H24N2O2 — CID 15305455

IUPAC(3S,3aR,6aS)-2-benzyl-5-phenyl-3-propan-2-yl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
SMILESCC(C)[C@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2CN1Cc1ccccc1
InChIInChI=1S/C22H24N2O2/c1-15(2)20-19-18(14-23(20)13-16-9-5-3-6-10-16)21(25)24(22(19)26)17-11-7-4-8-12-17/h3-12,15,18-20H,13-14H2,1-2H3/t18-,19-,20+/m1/s1
InChIKeyFWTUJOPJQFZIDR-AQNXPRMDSA-N
MW348.45 g/mol
LogP3.33
Rot. Bonds4

About (3S,3aR,6aS)-2-benzyl-5-phenyl-3-propan-2-yl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione

(3S,3aR,6aS)-2-benzyl-5-phenyl-3-propan-2-yl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione (PubChem CID 15305455) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (3S,3aR,6aS)-2-benzyl-5-phenyl-3-propan-2-yl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione.

Molecular Properties

Compound Name(3S,3aR,6aS)-2-benzyl-5-phenyl-3-propan-2-yl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
PubChem CID15305455
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name(3S,3aR,6aS)-2-benzyl-5-phenyl-3-propan-2-yl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
SMILESCC(C)[C@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2CN1Cc1ccccc1
InChIInChI=1S/C22H24N2O2/c1-15(2)20-19-18(14-23(20)13-16-9-5-3-6-10-16)21(25)24(22(19)26)17-11-7-4-8-12-17/h3-12,15,18-20H,13-14H2,1-2H3/t18-,19-,20+/m1/s1
InChIKeyFWTUJOPJQFZIDR-AQNXPRMDSA-N
XLogP3.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S,3aR,6aS)-2-benzyl-5-phenyl-3-propan-2-yl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-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,3aR,6aS)-2-benzyl-5-phenyl-3-propan-2-yl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione?
The IUPAC name of (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) is (3S,3aR,6aS)-2-benzyl-5-phenyl-3-propan-2-yl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione.
What is the SMILES notation for (3S,3aR,6aS)-2-benzyl-5-phenyl-3-propan-2-yl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione?
The canonical SMILES for (3S,3aR,6aS)-2-benzyl-5-phenyl-3-propan-2-yl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione is CC(C)[C@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2CN1Cc1ccccc1.
What is the InChIKey of (3S,3aR,6aS)-2-benzyl-5-phenyl-3-propan-2-yl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione?
The InChIKey is FWTUJOPJQFZIDR-AQNXPRMDSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-15(2)20-19-18(14-23(20)13-16-9-5-3-6-10-16)21(25)24(22(19)26)17-11-7-4-8-12-17/h3-12,15,18-20H,13-14H2,1-2H3/t18-,19-,20+/m1/s1.
What are the key properties of (3S,3aR,6aS)-2-benzyl-5-phenyl-3-propan-2-yl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione?
(3S,3aR,6aS)-2-benzyl-5-phenyl-3-propan-2-yl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione has a molecular weight of 348.45 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aR,6aS)-2-benzyl-5-phenyl-3-propan-2-yl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione is sourced from PubChem (CID 15305455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).