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

C8H15NO — CID 89115724

IUPAC(8aR)-7-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
SMILESCC1C[C@@H]2COCCN2C1
InChIInChI=1S/C8H15NO/c1-7-4-8-6-10-3-2-9(8)5-7/h7-8H,2-6H2,1H3/t7?,8-/m1/s1
InChIKeyDFFITIIHAPBRLZ-BRFYHDHCSA-N
MW141.21 g/mol
LogP0.73
Rot. Bonds

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

(8aR)-7-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine (PubChem CID 89115724) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (8aR)-7-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name(8aR)-7-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
PubChem CID89115724
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(8aR)-7-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
SMILESCC1C[C@@H]2COCCN2C1
InChIInChI=1S/C8H15NO/c1-7-4-8-6-10-3-2-9(8)5-7/h7-8H,2-6H2,1H3/t7?,8-/m1/s1
InChIKeyDFFITIIHAPBRLZ-BRFYHDHCSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8aR)-7-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
The IUPAC name of (8aR)-7-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine (CID 89115724) is (8aR)-7-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine.
What is the SMILES notation for (8aR)-7-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
The canonical SMILES for (8aR)-7-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine is CC1C[C@@H]2COCCN2C1.
What is the InChIKey of (8aR)-7-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
The InChIKey is DFFITIIHAPBRLZ-BRFYHDHCSA-N. The full InChI is InChI=1S/C8H15NO/c1-7-4-8-6-10-3-2-9(8)5-7/h7-8H,2-6H2,1H3/t7?,8-/m1/s1.
What are the key properties of (8aR)-7-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
(8aR)-7-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 0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-7-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine is sourced from PubChem (CID 89115724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).