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

C17H21N3O3 — CID 46201577

IUPAC(3aS,6aR)-2-benzyl-5-morpholin-4-yl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
SMILESO=C1[C@H]2CN(Cc3ccccc3)C[C@H]2C(=O)N1N1CCOCC1
InChIInChI=1S/C17H21N3O3/c21-16-14-11-18(10-13-4-2-1-3-5-13)12-15(14)17(22)20(16)19-6-8-23-9-7-19/h1-5,14-15H,6-12H2/t14-,15+
InChIKeyRWQBNNHTMNOOFI-GASCZTMLSA-N
MW315.37 g/mol
LogP0.35
Rot. Bonds3

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

(3aS,6aR)-2-benzyl-5-morpholin-4-yl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione (PubChem CID 46201577) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is (3aS,6aR)-2-benzyl-5-morpholin-4-yl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione.

Molecular Properties

Compound Name(3aS,6aR)-2-benzyl-5-morpholin-4-yl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
PubChem CID46201577
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name(3aS,6aR)-2-benzyl-5-morpholin-4-yl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
SMILESO=C1[C@H]2CN(Cc3ccccc3)C[C@H]2C(=O)N1N1CCOCC1
InChIInChI=1S/C17H21N3O3/c21-16-14-11-18(10-13-4-2-1-3-5-13)12-15(14)17(22)20(16)19-6-8-23-9-7-19/h1-5,14-15H,6-12H2/t14-,15+
InChIKeyRWQBNNHTMNOOFI-GASCZTMLSA-N
XLogP0.35
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3aS,6aR)-2-benzyl-5-morpholin-4-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 (3aS,6aR)-2-benzyl-5-morpholin-4-yl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione?
The IUPAC name of (3aS,6aR)-2-benzyl-5-morpholin-4-yl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione (CID 46201577) is (3aS,6aR)-2-benzyl-5-morpholin-4-yl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione.
What is the SMILES notation for (3aS,6aR)-2-benzyl-5-morpholin-4-yl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione?
The canonical SMILES for (3aS,6aR)-2-benzyl-5-morpholin-4-yl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione is O=C1[C@H]2CN(Cc3ccccc3)C[C@H]2C(=O)N1N1CCOCC1.
What is the InChIKey of (3aS,6aR)-2-benzyl-5-morpholin-4-yl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione?
The InChIKey is RWQBNNHTMNOOFI-GASCZTMLSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-16-14-11-18(10-13-4-2-1-3-5-13)12-15(14)17(22)20(16)19-6-8-23-9-7-19/h1-5,14-15H,6-12H2/t14-,15+.
What are the key properties of (3aS,6aR)-2-benzyl-5-morpholin-4-yl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione?
(3aS,6aR)-2-benzyl-5-morpholin-4-yl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione has a molecular weight of 315.37 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-2-benzyl-5-morpholin-4-yl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione is sourced from PubChem (CID 46201577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).