4a-methyl-1,5,6,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one

C8H14N2O2 — CID 123744410

IUPAC4a-methyl-1,5,6,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one
SMILESCC12CNCCC1NC(=O)CO2
InChIInChI=1S/C8H14N2O2/c1-8-5-9-3-2-6(8)10-7(11)4-12-8/h6,9H,2-5H2,1H3,(H,10,11)
InChIKeyOJTRAOPOZDXADH-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.75
Rot. Bonds

About 4a-methyl-1,5,6,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one

4a-methyl-1,5,6,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one (PubChem CID 123744410) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 4a-methyl-1,5,6,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one.

Molecular Properties

Compound Name4a-methyl-1,5,6,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one
PubChem CID123744410
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name4a-methyl-1,5,6,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one
SMILESCC12CNCCC1NC(=O)CO2
InChIInChI=1S/C8H14N2O2/c1-8-5-9-3-2-6(8)10-7(11)4-12-8/h6,9H,2-5H2,1H3,(H,10,11)
InChIKeyOJTRAOPOZDXADH-UHFFFAOYSA-N
XLogP-0.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4a-methyl-1,5,6,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one 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 4a-methyl-1,5,6,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one?
The IUPAC name of 4a-methyl-1,5,6,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one (CID 123744410) is 4a-methyl-1,5,6,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one.
What is the SMILES notation for 4a-methyl-1,5,6,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one?
The canonical SMILES for 4a-methyl-1,5,6,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one is CC12CNCCC1NC(=O)CO2.
What is the InChIKey of 4a-methyl-1,5,6,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one?
The InChIKey is OJTRAOPOZDXADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-8-5-9-3-2-6(8)10-7(11)4-12-8/h6,9H,2-5H2,1H3,(H,10,11).
What are the key properties of 4a-methyl-1,5,6,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one?
4a-methyl-1,5,6,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one has a molecular weight of 170.21 g/mol, XLogP of -0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-methyl-1,5,6,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one is sourced from PubChem (CID 123744410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).