(6aR)-1,2,4,5,6,6a-hexahydropyrrolo[3,4-b]pyrrole

C6H10N2 — CID 11094563

IUPAC(6aR)-1,2,4,5,6,6a-hexahydropyrrolo[3,4-b]pyrrole
SMILESC1=C2CNC[C@@H]2NC1
InChIInChI=1S/C6H10N2/c1-2-8-6-4-7-3-5(1)6/h1,6-8H,2-4H2/t6-/m0/s1
InChIKeyDBBCPJBZSLOISJ-LURJTMIESA-N
MW110.16 g/mol
LogP-0.51
Rot. Bonds

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

(6aR)-1,2,4,5,6,6a-hexahydropyrrolo[3,4-b]pyrrole (PubChem CID 11094563) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (6aR)-1,2,4,5,6,6a-hexahydropyrrolo[3,4-b]pyrrole.

Molecular Properties

Compound Name(6aR)-1,2,4,5,6,6a-hexahydropyrrolo[3,4-b]pyrrole
PubChem CID11094563
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(6aR)-1,2,4,5,6,6a-hexahydropyrrolo[3,4-b]pyrrole
SMILESC1=C2CNC[C@@H]2NC1
InChIInChI=1S/C6H10N2/c1-2-8-6-4-7-3-5(1)6/h1,6-8H,2-4H2/t6-/m0/s1
InChIKeyDBBCPJBZSLOISJ-LURJTMIESA-N
XLogP-0.51
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 ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6aR)-1,2,4,5,6,6a-hexahydropyrrolo[3,4-b]pyrrole?
The IUPAC name of (6aR)-1,2,4,5,6,6a-hexahydropyrrolo[3,4-b]pyrrole (CID 11094563) is (6aR)-1,2,4,5,6,6a-hexahydropyrrolo[3,4-b]pyrrole.
What is the SMILES notation for (6aR)-1,2,4,5,6,6a-hexahydropyrrolo[3,4-b]pyrrole?
The canonical SMILES for (6aR)-1,2,4,5,6,6a-hexahydropyrrolo[3,4-b]pyrrole is C1=C2CNC[C@@H]2NC1.
What is the InChIKey of (6aR)-1,2,4,5,6,6a-hexahydropyrrolo[3,4-b]pyrrole?
The InChIKey is DBBCPJBZSLOISJ-LURJTMIESA-N. The full InChI is InChI=1S/C6H10N2/c1-2-8-6-4-7-3-5(1)6/h1,6-8H,2-4H2/t6-/m0/s1.
What are the key properties of (6aR)-1,2,4,5,6,6a-hexahydropyrrolo[3,4-b]pyrrole?
(6aR)-1,2,4,5,6,6a-hexahydropyrrolo[3,4-b]pyrrole has a molecular weight of 110.16 g/mol, XLogP of -0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-1,2,4,5,6,6a-hexahydropyrrolo[3,4-b]pyrrole is sourced from PubChem (CID 11094563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).