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

C6H12N2 — CID 11815320

IUPAC1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole
SMILESC1CC2CNCC2N1
InChIInChI=1S/C6H12N2/c1-2-8-6-4-7-3-5(1)6/h5-8H,1-4H2
InChIKeyYETODIXQMRZKEG-UHFFFAOYSA-N
MW112.18 g/mol
LogP-0.43
Rot. Bonds

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

1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole (PubChem CID 11815320) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole
PubChem CID11815320
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole
SMILESC1CC2CNCC2N1
InChIInChI=1S/C6H12N2/c1-2-8-6-4-7-3-5(1)6/h5-8H,1-4H2
InChIKeyYETODIXQMRZKEG-UHFFFAOYSA-N
XLogP-0.43
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole?
The IUPAC name of 1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole (CID 11815320) is 1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole.
What is the SMILES notation for 1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole?
The canonical SMILES for 1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole is C1CC2CNCC2N1.
What is the InChIKey of 1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole?
The InChIKey is YETODIXQMRZKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-2-8-6-4-7-3-5(1)6/h5-8H,1-4H2.
What are the key properties of 1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole?
1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole has a molecular weight of 112.18 g/mol, XLogP of -0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 11815320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).