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

C8H16N2O — CID 19969874

IUPAC2,4-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
SMILESCC1CN(C)C2CNCC2O1
InChIInChI=1S/C8H16N2O/c1-6-5-10(2)7-3-9-4-8(7)11-6/h6-9H,3-5H2,1-2H3
InChIKeyJQWAMBQTZXJTBI-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.32
Rot. Bonds

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

2,4-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine (PubChem CID 19969874) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2,4-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine.

Molecular Properties

Compound Name2,4-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
PubChem CID19969874
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2,4-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
SMILESCC1CN(C)C2CNCC2O1
InChIInChI=1S/C8H16N2O/c1-6-5-10(2)7-3-9-4-8(7)11-6/h6-9H,3-5H2,1-2H3
InChIKeyJQWAMBQTZXJTBI-UHFFFAOYSA-N
XLogP-0.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine?
The IUPAC name of 2,4-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine (CID 19969874) is 2,4-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine.
What is the SMILES notation for 2,4-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine?
The canonical SMILES for 2,4-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine is CC1CN(C)C2CNCC2O1.
What is the InChIKey of 2,4-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine?
The InChIKey is JQWAMBQTZXJTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6-5-10(2)7-3-9-4-8(7)11-6/h6-9H,3-5H2,1-2H3.
What are the key properties of 2,4-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine?
2,4-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine has a molecular weight of 156.23 g/mol, XLogP of -0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine is sourced from PubChem (CID 19969874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).