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

C8H16N2O — CID 174641204

IUPAC4-(methoxymethyl)-1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole
SMILESCOCC1NCC2CNCC21
InChIInChI=1S/C8H16N2O/c1-11-5-8-7-4-9-2-6(7)3-10-8/h6-10H,2-5H2,1H3
InChIKeyXIFXDKIRKIWBRQ-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.56
Rot. Bonds2

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

4-(methoxymethyl)-1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole (PubChem CID 174641204) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 4-(methoxymethyl)-1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4-(methoxymethyl)-1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole
PubChem CID174641204
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name4-(methoxymethyl)-1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole
SMILESCOCC1NCC2CNCC21
InChIInChI=1S/C8H16N2O/c1-11-5-8-7-4-9-2-6(7)3-10-8/h6-10H,2-5H2,1H3
InChIKeyXIFXDKIRKIWBRQ-UHFFFAOYSA-N
XLogP-0.56
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(methoxymethyl)-1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 4-(methoxymethyl)-1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole (CID 174641204) is 4-(methoxymethyl)-1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4-(methoxymethyl)-1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4-(methoxymethyl)-1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole is COCC1NCC2CNCC21.
What is the InChIKey of 4-(methoxymethyl)-1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole?
The InChIKey is XIFXDKIRKIWBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-11-5-8-7-4-9-2-6(7)3-10-8/h6-10H,2-5H2,1H3.
What are the key properties of 4-(methoxymethyl)-1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole?
4-(methoxymethyl)-1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole has a molecular weight of 156.23 g/mol, XLogP of -0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 174641204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).