6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine

C10H20N2O — CID 59777281

IUPAC6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
SMILESCC(C)(C)N1CC2NCCOC2C1
InChIInChI=1S/C10H20N2O/c1-10(2,3)12-6-8-9(7-12)13-5-4-11-8/h8-9,11H,4-7H2,1-3H3
InChIKeyNCTIOSPEILPLDW-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.46
Rot. Bonds

About 6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine

6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine (PubChem CID 59777281) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine.

Molecular Properties

Compound Name6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
PubChem CID59777281
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
SMILESCC(C)(C)N1CC2NCCOC2C1
InChIInChI=1S/C10H20N2O/c1-10(2,3)12-6-8-9(7-12)13-5-4-11-8/h8-9,11H,4-7H2,1-3H3
InChIKeyNCTIOSPEILPLDW-UHFFFAOYSA-N
XLogP0.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine?
The IUPAC name of 6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine (CID 59777281) is 6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine.
What is the SMILES notation for 6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine?
The canonical SMILES for 6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine is CC(C)(C)N1CC2NCCOC2C1.
What is the InChIKey of 6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine?
The InChIKey is NCTIOSPEILPLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-10(2,3)12-6-8-9(7-12)13-5-4-11-8/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine?
6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine has a molecular weight of 184.28 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine is sourced from PubChem (CID 59777281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).