6,8-dimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a]azepine

C11H21NO — CID 156794987

IUPAC6,8-dimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a]azepine
SMILESCC1CCC2COCCN2C(C)C1
InChIInChI=1S/C11H21NO/c1-9-3-4-11-8-13-6-5-12(11)10(2)7-9/h9-11H,3-8H2,1-2H3
InChIKeyVNBUXJMRQSYHIV-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.90
Rot. Bonds

About 6,8-dimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a]azepine

6,8-dimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a]azepine (PubChem CID 156794987) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 6,8-dimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a]azepine.

Molecular Properties

Compound Name6,8-dimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a]azepine
PubChem CID156794987
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name6,8-dimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a]azepine
SMILESCC1CCC2COCCN2C(C)C1
InChIInChI=1S/C11H21NO/c1-9-3-4-11-8-13-6-5-12(11)10(2)7-9/h9-11H,3-8H2,1-2H3
InChIKeyVNBUXJMRQSYHIV-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a]azepine?
The IUPAC name of 6,8-dimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a]azepine (CID 156794987) is 6,8-dimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a]azepine.
What is the SMILES notation for 6,8-dimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a]azepine?
The canonical SMILES for 6,8-dimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a]azepine is CC1CCC2COCCN2C(C)C1.
What is the InChIKey of 6,8-dimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a]azepine?
The InChIKey is VNBUXJMRQSYHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9-3-4-11-8-13-6-5-12(11)10(2)7-9/h9-11H,3-8H2,1-2H3.
What are the key properties of 6,8-dimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a]azepine?
6,8-dimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a]azepine has a molecular weight of 183.29 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a]azepine is sourced from PubChem (CID 156794987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).