(3aS,7aR)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[3,4-c]pyridine-1,6-dione

C7H10N2O2 — CID 14201950

IUPAC(3aS,7aR)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[3,4-c]pyridine-1,6-dione
SMILESO=C1C[C@H]2C(=O)NC[C@@H]2CN1
InChIInChI=1S/C7H10N2O2/c10-6-1-5-4(2-8-6)3-9-7(5)11/h4-5H,1-3H2,(H,8,10)(H,9,11)/t4-,5+/m0/s1
InChIKeyYDLPCUTTXVWMBH-CRCLSJGQSA-N
MW154.17 g/mol
LogP-1.13
Rot. Bonds

About (3aS,7aR)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[3,4-c]pyridine-1,6-dione

(3aS,7aR)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[3,4-c]pyridine-1,6-dione (PubChem CID 14201950) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is (3aS,7aR)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[3,4-c]pyridine-1,6-dione.

Molecular Properties

Compound Name(3aS,7aR)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[3,4-c]pyridine-1,6-dione
PubChem CID14201950
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name(3aS,7aR)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[3,4-c]pyridine-1,6-dione
SMILESO=C1C[C@H]2C(=O)NC[C@@H]2CN1
InChIInChI=1S/C7H10N2O2/c10-6-1-5-4(2-8-6)3-9-7(5)11/h4-5H,1-3H2,(H,8,10)(H,9,11)/t4-,5+/m0/s1
InChIKeyYDLPCUTTXVWMBH-CRCLSJGQSA-N
XLogP-1.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3aS,7aR)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[3,4-c]pyridine-1,6-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,7aR)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[3,4-c]pyridine-1,6-dione?
The IUPAC name of (3aS,7aR)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[3,4-c]pyridine-1,6-dione (CID 14201950) is (3aS,7aR)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[3,4-c]pyridine-1,6-dione.
What is the SMILES notation for (3aS,7aR)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[3,4-c]pyridine-1,6-dione?
The canonical SMILES for (3aS,7aR)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[3,4-c]pyridine-1,6-dione is O=C1C[C@H]2C(=O)NC[C@@H]2CN1.
What is the InChIKey of (3aS,7aR)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[3,4-c]pyridine-1,6-dione?
The InChIKey is YDLPCUTTXVWMBH-CRCLSJGQSA-N. The full InChI is InChI=1S/C7H10N2O2/c10-6-1-5-4(2-8-6)3-9-7(5)11/h4-5H,1-3H2,(H,8,10)(H,9,11)/t4-,5+/m0/s1.
What are the key properties of (3aS,7aR)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[3,4-c]pyridine-1,6-dione?
(3aS,7aR)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[3,4-c]pyridine-1,6-dione has a molecular weight of 154.17 g/mol, XLogP of -1.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aR)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[3,4-c]pyridine-1,6-dione is sourced from PubChem (CID 14201950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).