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

C11H22N2O — CID 118906437

IUPAC2,3-dimethyl-6-propyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
SMILESCCCN1CC2NC(C)C(C)OC2C1
InChIInChI=1S/C11H22N2O/c1-4-5-13-6-10-11(7-13)14-9(3)8(2)12-10/h8-12H,4-7H2,1-3H3
InChIKeyAPXPQRCTJMNOJW-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.85
Rot. Bonds2

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

2,3-dimethyl-6-propyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine (PubChem CID 118906437) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2,3-dimethyl-6-propyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine.

Molecular Properties

Compound Name2,3-dimethyl-6-propyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
PubChem CID118906437
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2,3-dimethyl-6-propyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
SMILESCCCN1CC2NC(C)C(C)OC2C1
InChIInChI=1S/C11H22N2O/c1-4-5-13-6-10-11(7-13)14-9(3)8(2)12-10/h8-12H,4-7H2,1-3H3
InChIKeyAPXPQRCTJMNOJW-UHFFFAOYSA-N
XLogP0.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3-dimethyl-6-propyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-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 2,3-dimethyl-6-propyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine?
The IUPAC name of 2,3-dimethyl-6-propyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine (CID 118906437) is 2,3-dimethyl-6-propyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine.
What is the SMILES notation for 2,3-dimethyl-6-propyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine?
The canonical SMILES for 2,3-dimethyl-6-propyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine is CCCN1CC2NC(C)C(C)OC2C1.
What is the InChIKey of 2,3-dimethyl-6-propyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine?
The InChIKey is APXPQRCTJMNOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-5-13-6-10-11(7-13)14-9(3)8(2)12-10/h8-12H,4-7H2,1-3H3.
What are the key properties of 2,3-dimethyl-6-propyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine?
2,3-dimethyl-6-propyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine has a molecular weight of 198.31 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-propyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine is sourced from PubChem (CID 118906437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).