(4aS,8aR)-4-methyl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine

C8H16N2O — CID 90430723

IUPAC(4aS,8aR)-4-methyl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine
SMILESCN1CCO[C@@H]2CCNC[C@@H]21
InChIInChI=1S/C8H16N2O/c1-10-4-5-11-8-2-3-9-6-7(8)10/h7-9H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyPDUWHSJPAWBJMF-JGVFFNPUSA-N
MW156.23 g/mol
LogP-0.32
Rot. Bonds

About (4aS,8aR)-4-methyl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine

(4aS,8aR)-4-methyl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine (PubChem CID 90430723) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (4aS,8aR)-4-methyl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine.

Molecular Properties

Compound Name(4aS,8aR)-4-methyl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine
PubChem CID90430723
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(4aS,8aR)-4-methyl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine
SMILESCN1CCO[C@@H]2CCNC[C@@H]21
InChIInChI=1S/C8H16N2O/c1-10-4-5-11-8-2-3-9-6-7(8)10/h7-9H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyPDUWHSJPAWBJMF-JGVFFNPUSA-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

Analyze (4aS,8aR)-4-methyl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4aS,8aR)-4-methyl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine?
The IUPAC name of (4aS,8aR)-4-methyl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine (CID 90430723) is (4aS,8aR)-4-methyl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine.
What is the SMILES notation for (4aS,8aR)-4-methyl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine?
The canonical SMILES for (4aS,8aR)-4-methyl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine is CN1CCO[C@@H]2CCNC[C@@H]21.
What is the InChIKey of (4aS,8aR)-4-methyl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine?
The InChIKey is PDUWHSJPAWBJMF-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H16N2O/c1-10-4-5-11-8-2-3-9-6-7(8)10/h7-9H,2-6H2,1H3/t7-,8+/m0/s1.
What are the key properties of (4aS,8aR)-4-methyl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine?
(4aS,8aR)-4-methyl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-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 (4aS,8aR)-4-methyl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine is sourced from PubChem (CID 90430723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).