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

C10H15ClN2O2 — CID 169261551

IUPAC(2R)-2-ethyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride
SMILESCC[C@@H]1CNCc2[nH]c(=O)ccc2O1.Cl
InChIInChI=1S/C10H14N2O2.ClH/c1-2-7-5-11-6-8-9(14-7)3-4-10(13)12-8;/h3-4,7,11H,2,5-6H2,1H3,(H,12,13);1H/t7-;/m1./s1
InChIKeyLSPQLIUGSPECAE-OGFXRTJISA-N
MW230.69 g/mol
LogP1.06
Rot. Bonds1

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

(2R)-2-ethyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride (PubChem CID 169261551) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is (2R)-2-ethyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride.

Molecular Properties

Compound Name(2R)-2-ethyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride
PubChem CID169261551
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name(2R)-2-ethyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride
SMILESCC[C@@H]1CNCc2[nH]c(=O)ccc2O1.Cl
InChIInChI=1S/C10H14N2O2.ClH/c1-2-7-5-11-6-8-9(14-7)3-4-10(13)12-8;/h3-4,7,11H,2,5-6H2,1H3,(H,12,13);1H/t7-;/m1./s1
InChIKeyLSPQLIUGSPECAE-OGFXRTJISA-N
XLogP1.06
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

(2R)-2-ethyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one
CID 154680535
(2R,5R)-2-ethyl-5-methyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride
CID 169261742
(2S)-2-(trifluoromethyl)-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;dihydrochloride
CID 175747199
(2S)-2-(trifluoromethyl)-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one
CID 155065048
(2S)-2-ethyl-2-methyl-3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepin-7-one
CID 155065043
(2S)-2-ethyl-2-methyl-3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepin-7-one;(2R)-2-ethyl-2-methyl-3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepin-7-one
CID 165106722
2,2-dimethyl-3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepin-7-one
CID 154680530
(2R)-2-ethyl-7-methyl-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine;hydrochloride
CID 135124309
1,5,6,7-tetrahydropyrrolo[3,4-b]pyridin-2-one;dihydrochloride
CID 155943618
4-ethyl-3,4-dihydro-2H-5,1,2-benzoxathiazepine
CID 118170358
(2R)-2-ethyl-7-fluoro-2,3,4,5-tetrahydrobenzo[h][1,4]benzoxazepine
CID 155730634
(2R,5S)-2-cyclopropyl-5-methyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride
CID 175951954

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride?
The IUPAC name of (2R)-2-ethyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride (CID 169261551) is (2R)-2-ethyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride.
What is the SMILES notation for (2R)-2-ethyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride?
The canonical SMILES for (2R)-2-ethyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride is CC[C@@H]1CNCc2[nH]c(=O)ccc2O1.Cl.
What is the InChIKey of (2R)-2-ethyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride?
The InChIKey is LSPQLIUGSPECAE-OGFXRTJISA-N. The full InChI is InChI=1S/C10H14N2O2.ClH/c1-2-7-5-11-6-8-9(14-7)3-4-10(13)12-8;/h3-4,7,11H,2,5-6H2,1H3,(H,12,13);1H/t7-;/m1./s1.
What are the key properties of (2R)-2-ethyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride?
(2R)-2-ethyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride has a molecular weight of 230.69 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride is sourced from PubChem (CID 169261551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).