6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;dihydrochloride

C7H16Cl2N2O — CID 146675358

IUPAC6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;dihydrochloride
SMILESCN1CC2NCCOC2C1.Cl.Cl
InChIInChI=1S/C7H14N2O.2ClH/c1-9-4-6-7(5-9)10-3-2-8-6;;/h6-8H,2-5H2,1H3;2*1H
InChIKeyLECMPEZOTMAWLN-UHFFFAOYSA-N
MW215.12 g/mol
LogP0.13
Rot. Bonds

About 6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;dihydrochloride

6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;dihydrochloride (PubChem CID 146675358) has the molecular formula C7H16Cl2N2O and a molecular weight of 215.12 g/mol. Its IUPAC name is 6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;dihydrochloride.

Molecular Properties

Compound Name6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;dihydrochloride
PubChem CID146675358
Molecular FormulaC7H16Cl2N2O
Molecular Weight215.12 g/mol
Exact Mass214.06
IUPAC Name6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;dihydrochloride
SMILESCN1CC2NCCOC2C1.Cl.Cl
InChIInChI=1S/C7H14N2O.2ClH/c1-9-4-6-7(5-9)10-3-2-8-6;;/h6-8H,2-5H2,1H3;2*1H
InChIKeyLECMPEZOTMAWLN-UHFFFAOYSA-N
XLogP0.13
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.12
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;dihydrochloride with MolForge

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Related Compounds

ethane;6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
CID 177206108
ethane;6-ethyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
CID 144987600
2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride
CID 54595647
6-(2-methylpropyl)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;hydrochloride
CID 131160100
(6R)-2-oxa-5-azabicyclo[4.1.0]heptane
CID 174100018
(4aR,8aR)-6-propan-2-yl-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine
CID 134168248
tert-butyl (4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-6-carboxylate
CID 95002398
3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride
CID 77232572
(4aS,7aR)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine;dihydrochloride
CID 22857293
(4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride
CID 146154961
(4aS,8aR)-6-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;molecular hydrogen
CID 164555227
(4aS,8aR)-6-butan-2-yl-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine
CID 134177948

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;dihydrochloride?
The IUPAC name of 6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;dihydrochloride (CID 146675358) is 6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;dihydrochloride.
What is the SMILES notation for 6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;dihydrochloride?
The canonical SMILES for 6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;dihydrochloride is CN1CC2NCCOC2C1.Cl.Cl.
What is the InChIKey of 6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;dihydrochloride?
The InChIKey is LECMPEZOTMAWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.2ClH/c1-9-4-6-7(5-9)10-3-2-8-6;;/h6-8H,2-5H2,1H3;2*1H.
What are the key properties of 6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;dihydrochloride?
6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;dihydrochloride has a molecular weight of 215.12 g/mol, XLogP of 0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;dihydrochloride is sourced from PubChem (CID 146675358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).