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

C10H14N2O2 — CID 154680535

IUPAC(2R)-2-ethyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one
SMILESCC[C@@H]1CNCc2[nH]c(=O)ccc2O1
InChIInChI=1S/C10H14N2O2/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)/t7-/m1/s1
InChIKeyIZLQZOVZFRMICU-SSDOTTSWSA-N
MW194.23 g/mol
LogP0.64
Rot. Bonds1

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

(2R)-2-ethyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one (PubChem CID 154680535) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2R)-2-ethyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one.

Molecular Properties

Compound Name(2R)-2-ethyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one
PubChem CID154680535
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(2R)-2-ethyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one
SMILESCC[C@@H]1CNCc2[nH]c(=O)ccc2O1
InChIInChI=1S/C10H14N2O2/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)/t7-/m1/s1
InChIKeyIZLQZOVZFRMICU-SSDOTTSWSA-N
XLogP0.64
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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?
The IUPAC name of (2R)-2-ethyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one (CID 154680535) is (2R)-2-ethyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one.
What is the SMILES notation for (2R)-2-ethyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one?
The canonical SMILES for (2R)-2-ethyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one is CC[C@@H]1CNCc2[nH]c(=O)ccc2O1.
What is the InChIKey of (2R)-2-ethyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one?
The InChIKey is IZLQZOVZFRMICU-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14N2O2/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)/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?
(2R)-2-ethyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one has a molecular weight of 194.23 g/mol, XLogP of 0.64, 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 is sourced from PubChem (CID 154680535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).