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

C6H10N2 — CID 67794328

IUPAC2,3,3a,4,5,6-hexahydropyrrolo[2,3-c]pyrrole
SMILESC1CC2CNCC2=N1
InChIInChI=1S/C6H10N2/c1-2-8-6-4-7-3-5(1)6/h5,7H,1-4H2
InChIKeyQONLTEKNXGLOPI-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.05
Rot. Bonds

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

2,3,3a,4,5,6-hexahydropyrrolo[2,3-c]pyrrole (PubChem CID 67794328) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 2,3,3a,4,5,6-hexahydropyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name2,3,3a,4,5,6-hexahydropyrrolo[2,3-c]pyrrole
PubChem CID67794328
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name2,3,3a,4,5,6-hexahydropyrrolo[2,3-c]pyrrole
SMILESC1CC2CNCC2=N1
InChIInChI=1S/C6H10N2/c1-2-8-6-4-7-3-5(1)6/h5,7H,1-4H2
InChIKeyQONLTEKNXGLOPI-UHFFFAOYSA-N
XLogP0.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6-hexahydropyrrolo[2,3-c]pyrrole?
The IUPAC name of 2,3,3a,4,5,6-hexahydropyrrolo[2,3-c]pyrrole (CID 67794328) is 2,3,3a,4,5,6-hexahydropyrrolo[2,3-c]pyrrole.
What is the SMILES notation for 2,3,3a,4,5,6-hexahydropyrrolo[2,3-c]pyrrole?
The canonical SMILES for 2,3,3a,4,5,6-hexahydropyrrolo[2,3-c]pyrrole is C1CC2CNCC2=N1.
What is the InChIKey of 2,3,3a,4,5,6-hexahydropyrrolo[2,3-c]pyrrole?
The InChIKey is QONLTEKNXGLOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-2-8-6-4-7-3-5(1)6/h5,7H,1-4H2.
What are the key properties of 2,3,3a,4,5,6-hexahydropyrrolo[2,3-c]pyrrole?
2,3,3a,4,5,6-hexahydropyrrolo[2,3-c]pyrrole has a molecular weight of 110.16 g/mol, XLogP of 0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6-hexahydropyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 67794328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).