6-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine

C8H15NO — CID 174251327

IUPAC6-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
SMILESCC1CCC2COCCN12
InChIInChI=1S/C8H15NO/c1-7-2-3-8-6-10-5-4-9(7)8/h7-8H,2-6H2,1H3
InChIKeyBTCRNHCVKAYSDK-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.87
Rot. Bonds

About 6-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine

6-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine (PubChem CID 174251327) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 6-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name6-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
PubChem CID174251327
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name6-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
SMILESCC1CCC2COCCN12
InChIInChI=1S/C8H15NO/c1-7-2-3-8-6-10-5-4-9(7)8/h7-8H,2-6H2,1H3
InChIKeyBTCRNHCVKAYSDK-UHFFFAOYSA-N
XLogP0.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Oxaindolizidine
CID 335668
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 54448419
3,3-difluoro-6,6-dimethyl-4,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 177326115
3,3-Difluoro-6-methyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine
CID 177326543
(8aS)-6-ethyl-3,3-difluoro-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine
CID 178689534
(6S,7R,8aR)-8a-ethyl-7-fluoro-6-methyl-1,3,4,6,7,8-hexahydropyrrolo[2,1-c][1,4]oxazine
CID 178735417
(6R,7R)-7-fluoro-6-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 178735422
(6R,8aR)-7-fluoro-6,8a-dimethyl-1,3,4,6,7,8-hexahydropyrrolo[2,1-c][1,4]oxazine
CID 178736260
(6R,7R,8aR)-7-fluoro-6,8a-dimethyl-1,3,4,6,7,8-hexahydropyrrolo[2,1-c][1,4]oxazine
CID 178736311
3,3-Difluoro-6-(propan-2-yloxymethyl)-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine
CID 178929848
(6S,8aS)-3,3-difluoro-6-(propan-2-yloxymethyl)-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine
CID 178930839
(6S,8aR)-3,3-difluoro-6-(propan-2-yloxymethyl)-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine
CID 178931306

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
The IUPAC name of 6-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine (CID 174251327) is 6-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine.
What is the SMILES notation for 6-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
The canonical SMILES for 6-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine is CC1CCC2COCCN12.
What is the InChIKey of 6-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
The InChIKey is BTCRNHCVKAYSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7-2-3-8-6-10-5-4-9(7)8/h7-8H,2-6H2,1H3.
What are the key properties of 6-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
6-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine has a molecular weight of 141.21 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine is sourced from PubChem (CID 174251327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).