6,6-dimethyl-1,3,4,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine

C9H17NO — CID 177326112

IUPAC6,6-dimethyl-1,3,4,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine
SMILESCC1(C)CCC2COCCN21
InChIInChI=1S/C9H17NO/c1-9(2)4-3-8-7-11-6-5-10(8)9/h8H,3-7H2,1-2H3
InChIKeyWZOKCXHTJFERQA-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.26
Rot. Bonds

About 6,6-dimethyl-1,3,4,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine

6,6-dimethyl-1,3,4,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine (PubChem CID 177326112) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 6,6-dimethyl-1,3,4,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name6,6-dimethyl-1,3,4,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine
PubChem CID177326112
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name6,6-dimethyl-1,3,4,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine
SMILESCC1(C)CCC2COCCN21
InChIInChI=1S/C9H17NO/c1-9(2)4-3-8-7-11-6-5-10(8)9/h8H,3-7H2,1-2H3
InChIKeyWZOKCXHTJFERQA-UHFFFAOYSA-N
XLogP1.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine
CID 167161624
3,3-difluoro-6,6-dimethyl-4,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 177326115
3-propan-2-yl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
CID 135081203
(6S,8aR)-6-methyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine
CID 21677230
(6S,8aS)-6-methyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine
CID 21677231
7-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 57748772
3,5-dimethyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
CID 57821165
8-Tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane
CID 57998272
8-(3-Methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane
CID 58404965
3-(2,2-dimethylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 58530859
3-Methyl-3-(2-methylpropyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine
CID 59371118
7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 68029557

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1,3,4,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine?
The IUPAC name of 6,6-dimethyl-1,3,4,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine (CID 177326112) is 6,6-dimethyl-1,3,4,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine.
What is the SMILES notation for 6,6-dimethyl-1,3,4,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine?
The canonical SMILES for 6,6-dimethyl-1,3,4,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine is CC1(C)CCC2COCCN21.
What is the InChIKey of 6,6-dimethyl-1,3,4,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine?
The InChIKey is WZOKCXHTJFERQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-9(2)4-3-8-7-11-6-5-10(8)9/h8H,3-7H2,1-2H3.
What are the key properties of 6,6-dimethyl-1,3,4,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine?
6,6-dimethyl-1,3,4,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine has a molecular weight of 155.24 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1,3,4,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine is sourced from PubChem (CID 177326112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).