(6aS)-1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C6H10N2 — CID 175818180

IUPAC(6aS)-1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESC1=C2CNC[C@H]2CN1
InChIInChI=1S/C6H10N2/c1-5-2-8-4-6(5)3-7-1/h1,6-8H,2-4H2/t6-/m1/s1
InChIKeyHWUGBMMPIAIJJC-ZCFIWIBFSA-N
MW110.16 g/mol
LogP-0.31
Rot. Bonds

About (6aS)-1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole

(6aS)-1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 175818180) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (6aS)-1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name(6aS)-1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID175818180
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(6aS)-1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESC1=C2CNC[C@H]2CN1
InChIInChI=1S/C6H10N2/c1-5-2-8-4-6(5)3-7-1/h1,6-8H,2-4H2/t6-/m1/s1
InChIKeyHWUGBMMPIAIJJC-ZCFIWIBFSA-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 ≤ 500110.16
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 (6aS)-1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of (6aS)-1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 175818180) is (6aS)-1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for (6aS)-1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for (6aS)-1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole is C1=C2CNC[C@H]2CN1.
What is the InChIKey of (6aS)-1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is HWUGBMMPIAIJJC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H10N2/c1-5-2-8-4-6(5)3-7-1/h1,6-8H,2-4H2/t6-/m1/s1.
What are the key properties of (6aS)-1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
(6aS)-1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 110.16 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 (6aS)-1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 175818180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).