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(2R,5R)-2-ethyl-5-methyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride

C11H17ClN2O2 — CID 169261742

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(2R,5R)-2-ethyl-5-methyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride
SMILESCC[C@@H]1CN[C@H](C)c2[nH]c(=O)ccc2O1.Cl
InChIInChI=1S/C11H16N2O2.ClH/c1-3-8-6-12-7(2)11-9(15-8)4-5-10(14)13-11;/h4-5,7-8,12H,3,6H2,1-2H3,(H,13,14);1H/t7-,8-;/m1./s1
InChIKeyOUYGCLJGDOOAHR-SCLLHFNJSA-N
MW244.72 g/mol
LogP1.62
Rot. Bonds1

About (2R,5R)-2-ethyl-5-methyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride

(2R,5R)-2-ethyl-5-methyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride (PubChem CID 169261742) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is (2R,5R)-2-ethyl-5-methyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride.

Molecular Properties

Compound Name(2R,5R)-2-ethyl-5-methyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride
PubChem CID169261742
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name(2R,5R)-2-ethyl-5-methyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride
SMILESCC[C@@H]1CN[C@H](C)c2[nH]c(=O)ccc2O1.Cl
InChIInChI=1S/C11H16N2O2.ClH/c1-3-8-6-12-7(2)11-9(15-8)4-5-10(14)13-11;/h4-5,7-8,12H,3,6H2,1-2H3,(H,13,14);1H/t7-,8-;/m1./s1
InChIKeyOUYGCLJGDOOAHR-SCLLHFNJSA-N
XLogP1.62
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-ethyl-5-methyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride?
The IUPAC name of (2R,5R)-2-ethyl-5-methyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride (CID 169261742) is (2R,5R)-2-ethyl-5-methyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride.
What is the SMILES notation for (2R,5R)-2-ethyl-5-methyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride?
The canonical SMILES for (2R,5R)-2-ethyl-5-methyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride is CC[C@@H]1CN[C@H](C)c2[nH]c(=O)ccc2O1.Cl.
What is the InChIKey of (2R,5R)-2-ethyl-5-methyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride?
The InChIKey is OUYGCLJGDOOAHR-SCLLHFNJSA-N. The full InChI is InChI=1S/C11H16N2O2.ClH/c1-3-8-6-12-7(2)11-9(15-8)4-5-10(14)13-11;/h4-5,7-8,12H,3,6H2,1-2H3,(H,13,14);1H/t7-,8-;/m1./s1.
What are the key properties of (2R,5R)-2-ethyl-5-methyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride?
(2R,5R)-2-ethyl-5-methyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride has a molecular weight of 244.72 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-ethyl-5-methyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride is sourced from PubChem (CID 169261742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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