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

C7H10N2O2 — CID 14201948

IUPAC3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[3,4-c]pyridine-1,6-dione
SMILESO=C1CC2C(=O)NCC2CN1
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)
InChIKeyYDLPCUTTXVWMBH-UHFFFAOYSA-N
MW154.17 g/mol
LogP-1.13
Rot. Bonds

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

3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[3,4-c]pyridine-1,6-dione (PubChem CID 14201948) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[3,4-c]pyridine-1,6-dione.

Molecular Properties

Compound Name3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[3,4-c]pyridine-1,6-dione
PubChem CID14201948
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[3,4-c]pyridine-1,6-dione
SMILESO=C1CC2C(=O)NCC2CN1
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)
InChIKeyYDLPCUTTXVWMBH-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[3,4-c]pyridine-1,6-dione?
The IUPAC name of 3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[3,4-c]pyridine-1,6-dione (CID 14201948) is 3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[3,4-c]pyridine-1,6-dione.
What is the SMILES notation for 3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[3,4-c]pyridine-1,6-dione?
The canonical SMILES for 3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[3,4-c]pyridine-1,6-dione is O=C1CC2C(=O)NCC2CN1.
What is the InChIKey of 3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[3,4-c]pyridine-1,6-dione?
The InChIKey is YDLPCUTTXVWMBH-UHFFFAOYSA-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).
What are the key properties of 3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[3,4-c]pyridine-1,6-dione?
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 3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[3,4-c]pyridine-1,6-dione is sourced from PubChem (CID 14201948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).