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

C10H20N2O — CID 121185276

IUPAC5-(2-methoxyethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCOCCN1CC2CN(C)CC2C1
InChIInChI=1S/C10H20N2O/c1-11-5-9-7-12(3-4-13-2)8-10(9)6-11/h9-10H,3-8H2,1-2H3
InChIKeyNXZORARITNXUAZ-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.13
Rot. Bonds3

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

5-(2-methoxyethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 121185276) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(2-methoxyethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID121185276
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name5-(2-methoxyethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCOCCN1CC2CN(C)CC2C1
InChIInChI=1S/C10H20N2O/c1-11-5-9-7-12(3-4-13-2)8-10(9)6-11/h9-10H,3-8H2,1-2H3
InChIKeyNXZORARITNXUAZ-UHFFFAOYSA-N
XLogP0.13
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(2-methoxyethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 121185276) is 5-(2-methoxyethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(2-methoxyethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(2-methoxyethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is COCCN1CC2CN(C)CC2C1.
What is the InChIKey of 5-(2-methoxyethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is NXZORARITNXUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-11-5-9-7-12(3-4-13-2)8-10(9)6-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 5-(2-methoxyethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
5-(2-methoxyethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 184.28 g/mol, XLogP of 0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 121185276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).