6-(1,1-dideuterio-2,2-dimethylpropyl)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole

C11H21NO2 — CID 118901766

IUPAC6-(1,1-dideuterio-2,2-dimethylpropyl)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole
SMILES[2H]C([2H])(N1CC2OCCOC2C1)C(C)(C)C
InChIInChI=1S/C11H21NO2/c1-11(2,3)8-12-6-9-10(7-12)14-5-4-13-9/h9-10H,4-8H2,1-3H3/i8D2
InChIKeyWDHDIVBEMOWPRP-MGVXTIMCSA-N
MW201.31 g/mol
LogP1.13
Rot. Bonds1

About 6-(1,1-dideuterio-2,2-dimethylpropyl)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole

6-(1,1-dideuterio-2,2-dimethylpropyl)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole (PubChem CID 118901766) has the molecular formula C11H21NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 6-(1,1-dideuterio-2,2-dimethylpropyl)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole.

Molecular Properties

Compound Name6-(1,1-dideuterio-2,2-dimethylpropyl)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole
PubChem CID118901766
Molecular FormulaC11H21NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name6-(1,1-dideuterio-2,2-dimethylpropyl)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole
SMILES[2H]C([2H])(N1CC2OCCOC2C1)C(C)(C)C
InChIInChI=1S/C11H21NO2/c1-11(2,3)8-12-6-9-10(7-12)14-5-4-13-9/h9-10H,4-8H2,1-3H3/i8D2
InChIKeyWDHDIVBEMOWPRP-MGVXTIMCSA-N
XLogP1.13
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(1,1-dideuterio-2,2-dimethylpropyl)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole with MolForge

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Related Compounds

6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-[1,4]dioxino[2,3-c]pyridine
CID 118641587
2-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)ethanol
CID 162353629
(E)-6-[(4aS,7aR)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl]-2,2-dimethylhex-4-en-3-one
CID 131972871
(4aS,7aS)-6-propan-2-yl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole
CID 129088215
(2S)-4-(2-tert-butylsulfanylethyl)-2-[(2R)-oxolan-2-yl]morpholine
CID 124731119
ethane;6-ethyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
CID 144987600
N-methyl-N-propyl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-amine
CID 123978873
2-(azetidin-3-yl)-4-propylmorpholine
CID 172596990
4-(2,2-dideuterio-4,4-dimethylpentyl)oxane
CID 118901717
5-tert-butyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 118901666
5,6-ditert-butyl-2,3,4a,6,7,7a-hexahydro-[1,4]dioxino[2,3-b]pyrrole
CID 176747987
3-ethyl-6-oxa-3-azabicyclo[3.1.0]hexane
CID 13320194

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-dideuterio-2,2-dimethylpropyl)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole?
The IUPAC name of 6-(1,1-dideuterio-2,2-dimethylpropyl)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole (CID 118901766) is 6-(1,1-dideuterio-2,2-dimethylpropyl)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole.
What is the SMILES notation for 6-(1,1-dideuterio-2,2-dimethylpropyl)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole?
The canonical SMILES for 6-(1,1-dideuterio-2,2-dimethylpropyl)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole is [2H]C([2H])(N1CC2OCCOC2C1)C(C)(C)C.
What is the InChIKey of 6-(1,1-dideuterio-2,2-dimethylpropyl)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole?
The InChIKey is WDHDIVBEMOWPRP-MGVXTIMCSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,3)8-12-6-9-10(7-12)14-5-4-13-9/h9-10H,4-8H2,1-3H3/i8D2.
What are the key properties of 6-(1,1-dideuterio-2,2-dimethylpropyl)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole?
6-(1,1-dideuterio-2,2-dimethylpropyl)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole has a molecular weight of 201.31 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-dideuterio-2,2-dimethylpropyl)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole is sourced from PubChem (CID 118901766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).