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

C6H10N2 — CID 175705632

IUPAC(3aR)-1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyrrole
SMILESC1=C2NCC[C@@H]2CN1
InChIInChI=1S/C6H10N2/c1-2-8-6-4-7-3-5(1)6/h4-5,7-8H,1-3H2/t5-/m1/s1
InChIKeyFTUSZJTUFHXUPG-RXMQYKEDSA-N
MW110.16 g/mol
LogP0.04
Rot. Bonds

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

(3aR)-1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyrrole (PubChem CID 175705632) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (3aR)-1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name(3aR)-1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyrrole
PubChem CID175705632
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(3aR)-1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyrrole
SMILESC1=C2NCC[C@@H]2CN1
InChIInChI=1S/C6H10N2/c1-2-8-6-4-7-3-5(1)6/h4-5,7-8H,1-3H2/t5-/m1/s1
InChIKeyFTUSZJTUFHXUPG-RXMQYKEDSA-N
XLogP0.04
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 ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR)-1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyrrole?
The IUPAC name of (3aR)-1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyrrole (CID 175705632) is (3aR)-1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyrrole.
What is the SMILES notation for (3aR)-1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyrrole?
The canonical SMILES for (3aR)-1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyrrole is C1=C2NCC[C@@H]2CN1.
What is the InChIKey of (3aR)-1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyrrole?
The InChIKey is FTUSZJTUFHXUPG-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H10N2/c1-2-8-6-4-7-3-5(1)6/h4-5,7-8H,1-3H2/t5-/m1/s1.
What are the key properties of (3aR)-1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyrrole?
(3aR)-1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyrrole has a molecular weight of 110.16 g/mol, XLogP of 0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 175705632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).