(2R,3aR,6aS)-1,2-dimethyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole;ethane

C10H21NO — CID 144826290

IUPAC(2R,3aR,6aS)-1,2-dimethyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole;ethane
SMILESCC.C[C@@H]1C[C@H]2COC[C@H]2N1C
InChIInChI=1S/C8H15NO.C2H6/c1-6-3-7-4-10-5-8(7)9(6)2;1-2/h6-8H,3-5H2,1-2H3;1-2H3/t6-,7+,8-;/m1./s1
InChIKeyGCFPUDUEZFCZOB-ARIDFIBWSA-N
MW171.28 g/mol
LogP1.75
Rot. Bonds

About (2R,3aR,6aS)-1,2-dimethyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole;ethane

(2R,3aR,6aS)-1,2-dimethyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole;ethane (PubChem CID 144826290) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (2R,3aR,6aS)-1,2-dimethyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole;ethane.

Molecular Properties

Compound Name(2R,3aR,6aS)-1,2-dimethyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole;ethane
PubChem CID144826290
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(2R,3aR,6aS)-1,2-dimethyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole;ethane
SMILESCC.C[C@@H]1C[C@H]2COC[C@H]2N1C
InChIInChI=1S/C8H15NO.C2H6/c1-6-3-7-4-10-5-8(7)9(6)2;1-2/h6-8H,3-5H2,1-2H3;1-2H3/t6-,7+,8-;/m1./s1
InChIKeyGCFPUDUEZFCZOB-ARIDFIBWSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R,3aR,6aS)-1,2-dimethyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole;ethane 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

1-iodo-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
CID 139403608
(2R)-1,2-dimethyl-4-(oxetan-3-yl)piperidine
CID 171414290
ethane;3-oxabicyclo[3.1.0]hexane
CID 177000090
1-(1-methyl-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridin-2-yl)ethanone
CID 58849926
ethane;1,2,4,6-tetramethylpiperidine
CID 164865353
(3S,4R)-3,4-dimethyloxolane;ethane;methanol
CID 166485181
3,4-dimethylmorpholine;ethane;4-methylmorpholine
CID 145315669
5-(3-methylbutan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
CID 146652691
9-methyl-3-oxabicyclo[3.3.1]nonane
CID 90743845
(6R,7S)-4,7-dimethyl-1,4-oxazocan-6-ol
CID 135232133
1,2,3,6-tetramethylpiperidin-4-ol
CID 130123560
(3-methyl-2-azabicyclo[3.1.0]hexan-2-yl)phosphane
CID 145019266

Frequently Asked Questions

What is the IUPAC name of (2R,3aR,6aS)-1,2-dimethyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole;ethane?
The IUPAC name of (2R,3aR,6aS)-1,2-dimethyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole;ethane (CID 144826290) is (2R,3aR,6aS)-1,2-dimethyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole;ethane.
What is the SMILES notation for (2R,3aR,6aS)-1,2-dimethyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole;ethane?
The canonical SMILES for (2R,3aR,6aS)-1,2-dimethyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole;ethane is CC.C[C@@H]1C[C@H]2COC[C@H]2N1C.
What is the InChIKey of (2R,3aR,6aS)-1,2-dimethyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole;ethane?
The InChIKey is GCFPUDUEZFCZOB-ARIDFIBWSA-N. The full InChI is InChI=1S/C8H15NO.C2H6/c1-6-3-7-4-10-5-8(7)9(6)2;1-2/h6-8H,3-5H2,1-2H3;1-2H3/t6-,7+,8-;/m1./s1.
What are the key properties of (2R,3aR,6aS)-1,2-dimethyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole;ethane?
(2R,3aR,6aS)-1,2-dimethyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole;ethane has a molecular weight of 171.28 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,6aS)-1,2-dimethyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole;ethane is sourced from PubChem (CID 144826290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).