(3aS,6aR)-5-[(3-methyloxetan-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C11H20N2O — CID 144962853

IUPAC(3aS,6aR)-5-[(3-methyloxetan-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1(CN2C[C@H]3CNC[C@H]3C2)COC1
InChIInChI=1S/C11H20N2O/c1-11(7-14-8-11)6-13-4-9-2-12-3-10(9)5-13/h9-10,12H,2-8H2,1H3/t9-,10+
InChIKeyGFPVAXZPHYJZOQ-AOOOYVTPSA-N
MW196.29 g/mol
LogP0.17
Rot. Bonds2

About (3aS,6aR)-5-[(3-methyloxetan-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

(3aS,6aR)-5-[(3-methyloxetan-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 144962853) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (3aS,6aR)-5-[(3-methyloxetan-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aS,6aR)-5-[(3-methyloxetan-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID144962853
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(3aS,6aR)-5-[(3-methyloxetan-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1(CN2C[C@H]3CNC[C@H]3C2)COC1
InChIInChI=1S/C11H20N2O/c1-11(7-14-8-11)6-13-4-9-2-12-3-10(9)5-13/h9-10,12H,2-8H2,1H3/t9-,10+
InChIKeyGFPVAXZPHYJZOQ-AOOOYVTPSA-N
XLogP0.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aS,6aR)-5-[(3-methyloxetan-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[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

Related Compounds

5-[(1-methylcyclobutyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 130174300
(3aR,6aS)-2-[(3-methyloxetan-3-yl)methyl]-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 146201415
5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 116522898
3-[(1-methylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 170374649
1-iodo-4-[(3-methyloxetan-3-yl)methyl]piperazine
CID 155472399
5-(2,2-dimethylpropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 58474347
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol;ethane
CID 169000293
(3aR,6aS)-2-methyl-5-[(3-methylpyrrolidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;hydrochloride
CID 120903554
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-4-methylpiperidine
CID 79180872
(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 34180510
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butan-2-ol
CID 63631367
3-methyl-1-[(3-methyloxolan-3-yl)methyl]piperazine
CID 130854730

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-5-[(3-methyloxetan-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of (3aS,6aR)-5-[(3-methyloxetan-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 144962853) is (3aS,6aR)-5-[(3-methyloxetan-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for (3aS,6aR)-5-[(3-methyloxetan-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for (3aS,6aR)-5-[(3-methyloxetan-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CC1(CN2C[C@H]3CNC[C@H]3C2)COC1.
What is the InChIKey of (3aS,6aR)-5-[(3-methyloxetan-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is GFPVAXZPHYJZOQ-AOOOYVTPSA-N. The full InChI is InChI=1S/C11H20N2O/c1-11(7-14-8-11)6-13-4-9-2-12-3-10(9)5-13/h9-10,12H,2-8H2,1H3/t9-,10+.
What are the key properties of (3aS,6aR)-5-[(3-methyloxetan-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
(3aS,6aR)-5-[(3-methyloxetan-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 196.29 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-5-[(3-methyloxetan-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 144962853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).