1,4a-dimethyl-2,4,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]oxazine

C8H16N2O — CID 19969842

IUPAC1,4a-dimethyl-2,4,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]oxazine
SMILESCN1COCC2(C)CNCC12
InChIInChI=1S/C8H16N2O/c1-8-4-9-3-7(8)10(2)6-11-5-8/h7,9H,3-6H2,1-2H3
InChIKeyASFMQFIROOTURA-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.12
Rot. Bonds

About 1,4a-dimethyl-2,4,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]oxazine

1,4a-dimethyl-2,4,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]oxazine (PubChem CID 19969842) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1,4a-dimethyl-2,4,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]oxazine.

Molecular Properties

Compound Name1,4a-dimethyl-2,4,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]oxazine
PubChem CID19969842
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1,4a-dimethyl-2,4,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]oxazine
SMILESCN1COCC2(C)CNCC12
InChIInChI=1S/C8H16N2O/c1-8-4-9-3-7(8)10(2)6-11-5-8/h7,9H,3-6H2,1-2H3
InChIKeyASFMQFIROOTURA-UHFFFAOYSA-N
XLogP-0.12
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 ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4a-dimethyl-2,4,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]oxazine?
The IUPAC name of 1,4a-dimethyl-2,4,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]oxazine (CID 19969842) is 1,4a-dimethyl-2,4,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]oxazine.
What is the SMILES notation for 1,4a-dimethyl-2,4,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]oxazine?
The canonical SMILES for 1,4a-dimethyl-2,4,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]oxazine is CN1COCC2(C)CNCC12.
What is the InChIKey of 1,4a-dimethyl-2,4,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]oxazine?
The InChIKey is ASFMQFIROOTURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8-4-9-3-7(8)10(2)6-11-5-8/h7,9H,3-6H2,1-2H3.
What are the key properties of 1,4a-dimethyl-2,4,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]oxazine?
1,4a-dimethyl-2,4,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]oxazine has a molecular weight of 156.23 g/mol, XLogP of -0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4a-dimethyl-2,4,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]oxazine is sourced from PubChem (CID 19969842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).