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

C13H24N2O — CID 116522898

IUPAC5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1(C)CCC(CN2CC3CNCC3C2)O1
InChIInChI=1S/C13H24N2O/c1-13(2)4-3-12(16-13)9-15-7-10-5-14-6-11(10)8-15/h10-12,14H,3-9H2,1-2H3
InChIKeyOXSLMKLYCHJKKN-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.10
Rot. Bonds2

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

5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 116522898) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID116522898
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1(C)CCC(CN2CC3CNCC3C2)O1
InChIInChI=1S/C13H24N2O/c1-13(2)4-3-12(16-13)9-15-7-10-5-14-6-11(10)8-15/h10-12,14H,3-9H2,1-2H3
InChIKeyOXSLMKLYCHJKKN-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(5,5-dimethyloxolan-2-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

(3aS,6aS)-5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 104889620
5-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 102848065
3-chloro-1-[(5,5-dimethyloxolan-2-yl)methyl]-4-methylpyrrolidine
CID 130769945
1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine
CID 116522884
4-[(5,5-dimethyloxolan-2-yl)methyl]morpholine
CID 130167785
[4-[(5,5-dimethyloxolan-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114780051
1-[(5,5-dimethyloxolan-2-yl)methyl]-3,3-dimethylpiperazine
CID 116524419
3-tert-butyl-1-[(5,5-dimethyloxolan-2-yl)methyl]piperazine
CID 116524417
2,5-dicyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]piperazine
CID 116524565
[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methanamine
CID 116520993
1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-3-ol
CID 104889632
1-[(5,5-dimethyloxolan-2-yl)methyl]-3-propylpiperazine
CID 116524415

Frequently Asked Questions

What is the IUPAC name of 5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 116522898) is 5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CC1(C)CCC(CN2CC3CNCC3C2)O1.
What is the InChIKey of 5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is OXSLMKLYCHJKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-13(2)4-3-12(16-13)9-15-7-10-5-14-6-11(10)8-15/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 224.35 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 116522898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).