6-tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione

C13H17N3O2 — CID 2726359

IUPAC6-tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESCN(C)c1nc(C(C)(C)C)cc2c1C(=O)NC2=O
InChIInChI=1S/C13H17N3O2/c1-13(2,3)8-6-7-9(10(14-8)16(4)5)12(18)15-11(7)17/h6H,1-5H3,(H,15,17,18)
InChIKeyWYGUXNUOFSWULS-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.33
Rot. Bonds1

About 6-tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione

6-tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 2726359) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name6-tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID2726359
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name6-tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESCN(C)c1nc(C(C)(C)C)cc2c1C(=O)NC2=O
InChIInChI=1S/C13H17N3O2/c1-13(2,3)8-6-7-9(10(14-8)16(4)5)12(18)15-11(7)17/h6H,1-5H3,(H,15,17,18)
InChIKeyWYGUXNUOFSWULS-UHFFFAOYSA-N
XLogP1.33
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 6-tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione (CID 2726359) is 6-tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 6-tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 6-tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione is CN(C)c1nc(C(C)(C)C)cc2c1C(=O)NC2=O.
What is the InChIKey of 6-tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is WYGUXNUOFSWULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(2,3)8-6-7-9(10(14-8)16(4)5)12(18)15-11(7)17/h6H,1-5H3,(H,15,17,18).
What are the key properties of 6-tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione?
6-tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 247.30 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 2726359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).