4-deuterio-1,2,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C6H10N2 — CID 175961513

IUPAC4-deuterio-1,2,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILES[2H]C1NCC2CNC=C21
InChIInChI=1S/C6H10N2/c1-5-2-8-4-6(5)3-7-1/h1,6-8H,2-4H2/i2D
InChIKeyHWUGBMMPIAIJJC-VMNATFBRSA-N
MW111.17 g/mol
LogP-0.31
Rot. Bonds

About 4-deuterio-1,2,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole

4-deuterio-1,2,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 175961513) has the molecular formula C6H10N2 and a molecular weight of 111.17 g/mol. Its IUPAC name is 4-deuterio-1,2,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4-deuterio-1,2,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID175961513
Molecular FormulaC6H10N2
Molecular Weight111.17 g/mol
Exact Mass111.09
IUPAC Name4-deuterio-1,2,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILES[2H]C1NCC2CNC=C21
InChIInChI=1S/C6H10N2/c1-5-2-8-4-6(5)3-7-1/h1,6-8H,2-4H2/i2D
InChIKeyHWUGBMMPIAIJJC-VMNATFBRSA-N
XLogP-0.31
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.17
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-deuterio-1,2,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 4-deuterio-1,2,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 175961513) is 4-deuterio-1,2,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4-deuterio-1,2,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4-deuterio-1,2,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole is [2H]C1NCC2CNC=C21.
What is the InChIKey of 4-deuterio-1,2,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is HWUGBMMPIAIJJC-VMNATFBRSA-N. The full InChI is InChI=1S/C6H10N2/c1-5-2-8-4-6(5)3-7-1/h1,6-8H,2-4H2/i2D.
What are the key properties of 4-deuterio-1,2,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
4-deuterio-1,2,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 111.17 g/mol, XLogP of -0.31, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-deuterio-1,2,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 175961513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).