3a,6a-bis(methoxymethyl)-1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole

C10H20N2O2 — CID 59452520

IUPAC3a,6a-bis(methoxymethyl)-1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole
SMILESCOCC12CNCC1(COC)CNC2
InChIInChI=1S/C10H20N2O2/c1-13-7-9-3-11-5-10(9,8-14-2)6-12-4-9/h11-12H,3-8H2,1-2H3
InChIKeyHPSGILHSWFUPSL-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.54
Rot. Bonds4

About 3a,6a-bis(methoxymethyl)-1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole

3a,6a-bis(methoxymethyl)-1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 59452520) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3a,6a-bis(methoxymethyl)-1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name3a,6a-bis(methoxymethyl)-1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID59452520
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3a,6a-bis(methoxymethyl)-1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole
SMILESCOCC12CNCC1(COC)CNC2
InChIInChI=1S/C10H20N2O2/c1-13-7-9-3-11-5-10(9,8-14-2)6-12-4-9/h11-12H,3-8H2,1-2H3
InChIKeyHPSGILHSWFUPSL-UHFFFAOYSA-N
XLogP-0.54
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3a,6a-bis(methoxymethyl)-1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 3a,6a-bis(methoxymethyl)-1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole (CID 59452520) is 3a,6a-bis(methoxymethyl)-1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 3a,6a-bis(methoxymethyl)-1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 3a,6a-bis(methoxymethyl)-1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole is COCC12CNCC1(COC)CNC2.
What is the InChIKey of 3a,6a-bis(methoxymethyl)-1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is HPSGILHSWFUPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-13-7-9-3-11-5-10(9,8-14-2)6-12-4-9/h11-12H,3-8H2,1-2H3.
What are the key properties of 3a,6a-bis(methoxymethyl)-1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole?
3a,6a-bis(methoxymethyl)-1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 200.28 g/mol, XLogP of -0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,6a-bis(methoxymethyl)-1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 59452520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).