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

C13H24N2O — CID 104889620

IUPAC(3aS,6aS)-5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
SMILESCC1(C)CCC(CN2C[C@@H]3CCN[C@@H]3C2)O1
InChIInChI=1S/C13H24N2O/c1-13(2)5-3-11(16-13)8-15-7-10-4-6-14-12(10)9-15/h10-12,14H,3-9H2,1-2H3/t10-,11?,12+/m0/s1
InChIKeyBITAJKSBUYLGGZ-ASKATJPDSA-N
MW224.35 g/mol
LogP1.24
Rot. Bonds2

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

(3aS,6aS)-5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole (PubChem CID 104889620) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (3aS,6aS)-5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name(3aS,6aS)-5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
PubChem CID104889620
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(3aS,6aS)-5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
SMILESCC1(C)CCC(CN2C[C@@H]3CCN[C@@H]3C2)O1
InChIInChI=1S/C13H24N2O/c1-13(2)5-3-11(16-13)8-15-7-10-4-6-14-12(10)9-15/h10-12,14H,3-9H2,1-2H3/t10-,11?,12+/m0/s1
InChIKeyBITAJKSBUYLGGZ-ASKATJPDSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aS,6aS)-5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-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-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 116522898
(4aS,7aS)-6-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102899519
1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine
CID 116522884
3-chloro-1-[(5,5-dimethyloxolan-2-yl)methyl]-4-methylpyrrolidine
CID 130769945
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]-3-propylpiperazine
CID 116524415
1-[(5,5-dimethyloxolan-2-yl)methyl]-3,3-dimethylpiperazine
CID 116524419
2-[[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]methyl]-4-propan-2-ylmorpholine
CID 64850456
1-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 116522866
4-[(5,5-dimethyloxolan-2-yl)methyl]morpholine
CID 130167785
(3aS,6aS)-5-(oxolan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 64850841

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole?
The IUPAC name of (3aS,6aS)-5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole (CID 104889620) is (3aS,6aS)-5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole.
What is the SMILES notation for (3aS,6aS)-5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole?
The canonical SMILES for (3aS,6aS)-5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole is CC1(C)CCC(CN2C[C@@H]3CCN[C@@H]3C2)O1.
What is the InChIKey of (3aS,6aS)-5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole?
The InChIKey is BITAJKSBUYLGGZ-ASKATJPDSA-N. The full InChI is InChI=1S/C13H24N2O/c1-13(2)5-3-11(16-13)8-15-7-10-4-6-14-12(10)9-15/h10-12,14H,3-9H2,1-2H3/t10-,11?,12+/m0/s1.
What are the key properties of (3aS,6aS)-5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole?
(3aS,6aS)-5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole has a molecular weight of 224.35 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 104889620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).