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

C8H15NO — CID 166929202

IUPAC8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[2,1-c][1,4]oxazine
SMILESCC12CCCN1CCOC2
InChIInChI=1S/C8H15NO/c1-8-3-2-4-9(8)5-6-10-7-8/h2-7H2,1H3
InChIKeyMBBZRTDMCBEGRA-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.87
Rot. Bonds

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

8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[2,1-c][1,4]oxazine (PubChem CID 166929202) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[2,1-c][1,4]oxazine
PubChem CID166929202
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[2,1-c][1,4]oxazine
SMILESCC12CCCN1CCOC2
InChIInChI=1S/C8H15NO/c1-8-3-2-4-9(8)5-6-10-7-8/h2-7H2,1H3
InChIKeyMBBZRTDMCBEGRA-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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Frequently Asked Questions

What is the IUPAC name of 8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[2,1-c][1,4]oxazine?
The IUPAC name of 8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[2,1-c][1,4]oxazine (CID 166929202) is 8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[2,1-c][1,4]oxazine.
What is the SMILES notation for 8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[2,1-c][1,4]oxazine?
The canonical SMILES for 8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[2,1-c][1,4]oxazine is CC12CCCN1CCOC2.
What is the InChIKey of 8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[2,1-c][1,4]oxazine?
The InChIKey is MBBZRTDMCBEGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-8-3-2-4-9(8)5-6-10-7-8/h2-7H2,1H3.
What are the key properties of 8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[2,1-c][1,4]oxazine?
8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[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 8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[2,1-c][1,4]oxazine is sourced from PubChem (CID 166929202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).