(2R)-2-ethyl-7-methyl-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine;hydrochloride

C11H17ClN2O — CID 135124309

IUPAC(2R)-2-ethyl-7-methyl-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine;hydrochloride
SMILESCC[C@@H]1CNCc2nc(C)ccc2O1.Cl
InChIInChI=1S/C11H16N2O.ClH/c1-3-9-6-12-7-10-11(14-9)5-4-8(2)13-10;/h4-5,9,12H,3,6-7H2,1-2H3;1H/t9-;/m1./s1
InChIKeyUGELYUWRAYSJTF-SBSPUUFOSA-N
MW228.72 g/mol
LogP2.07
Rot. Bonds1

About (2R)-2-ethyl-7-methyl-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine;hydrochloride

(2R)-2-ethyl-7-methyl-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine;hydrochloride (PubChem CID 135124309) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is (2R)-2-ethyl-7-methyl-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-ethyl-7-methyl-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine;hydrochloride
PubChem CID135124309
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name(2R)-2-ethyl-7-methyl-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine;hydrochloride
SMILESCC[C@@H]1CNCc2nc(C)ccc2O1.Cl
InChIInChI=1S/C11H16N2O.ClH/c1-3-9-6-12-7-10-11(14-9)5-4-8(2)13-10;/h4-5,9,12H,3,6-7H2,1-2H3;1H/t9-;/m1./s1
InChIKeyUGELYUWRAYSJTF-SBSPUUFOSA-N
XLogP2.07
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-ethyl-7-methyl-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine;hydrochloride 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 (2R)-2-ethyl-7-methyl-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine;hydrochloride?
The IUPAC name of (2R)-2-ethyl-7-methyl-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine;hydrochloride (CID 135124309) is (2R)-2-ethyl-7-methyl-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine;hydrochloride.
What is the SMILES notation for (2R)-2-ethyl-7-methyl-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine;hydrochloride?
The canonical SMILES for (2R)-2-ethyl-7-methyl-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine;hydrochloride is CC[C@@H]1CNCc2nc(C)ccc2O1.Cl.
What is the InChIKey of (2R)-2-ethyl-7-methyl-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine;hydrochloride?
The InChIKey is UGELYUWRAYSJTF-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H16N2O.ClH/c1-3-9-6-12-7-10-11(14-9)5-4-8(2)13-10;/h4-5,9,12H,3,6-7H2,1-2H3;1H/t9-;/m1./s1.
What are the key properties of (2R)-2-ethyl-7-methyl-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine;hydrochloride?
(2R)-2-ethyl-7-methyl-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine;hydrochloride has a molecular weight of 228.72 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-7-methyl-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine;hydrochloride is sourced from PubChem (CID 135124309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).