1,2,3,3a,4,5-hexahydropyrrolo[3,2-b]pyrrole

C6H10N2 — CID 66697998

IUPAC1,2,3,3a,4,5-hexahydropyrrolo[3,2-b]pyrrole
SMILESC1=C2NCCC2NC1
InChIInChI=1S/C6H10N2/c1-3-7-6-2-4-8-5(1)6/h1,6-8H,2-4H2
InChIKeyIMFIXLKZDLUQBQ-UHFFFAOYSA-N
MW110.16 g/mol
LogP-0.16
Rot. Bonds

About 1,2,3,3a,4,5-hexahydropyrrolo[3,2-b]pyrrole

1,2,3,3a,4,5-hexahydropyrrolo[3,2-b]pyrrole (PubChem CID 66697998) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 1,2,3,3a,4,5-hexahydropyrrolo[3,2-b]pyrrole.

Molecular Properties

Compound Name1,2,3,3a,4,5-hexahydropyrrolo[3,2-b]pyrrole
PubChem CID66697998
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name1,2,3,3a,4,5-hexahydropyrrolo[3,2-b]pyrrole
SMILESC1=C2NCCC2NC1
InChIInChI=1S/C6H10N2/c1-3-7-6-2-4-8-5(1)6/h1,6-8H,2-4H2
InChIKeyIMFIXLKZDLUQBQ-UHFFFAOYSA-N
XLogP-0.16
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 ≤ 5-0.16
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-hexahydropyrrolo[3,2-b]pyrrole?
The IUPAC name of 1,2,3,3a,4,5-hexahydropyrrolo[3,2-b]pyrrole (CID 66697998) is 1,2,3,3a,4,5-hexahydropyrrolo[3,2-b]pyrrole.
What is the SMILES notation for 1,2,3,3a,4,5-hexahydropyrrolo[3,2-b]pyrrole?
The canonical SMILES for 1,2,3,3a,4,5-hexahydropyrrolo[3,2-b]pyrrole is C1=C2NCCC2NC1.
What is the InChIKey of 1,2,3,3a,4,5-hexahydropyrrolo[3,2-b]pyrrole?
The InChIKey is IMFIXLKZDLUQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-3-7-6-2-4-8-5(1)6/h1,6-8H,2-4H2.
What are the key properties of 1,2,3,3a,4,5-hexahydropyrrolo[3,2-b]pyrrole?
1,2,3,3a,4,5-hexahydropyrrolo[3,2-b]pyrrole has a molecular weight of 110.16 g/mol, XLogP of -0.16, 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-hexahydropyrrolo[3,2-b]pyrrole is sourced from PubChem (CID 66697998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).