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

C11H16N2O2 — CID 154680498

IUPAC(2R)-2-propan-2-yl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one
SMILESCC(C)[C@@H]1CNCc2[nH]c(=O)ccc2O1
InChIInChI=1S/C11H16N2O2/c1-7(2)10-6-12-5-8-9(15-10)3-4-11(14)13-8/h3-4,7,10,12H,5-6H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyISGJGMJDNIFLAC-JTQLQIEISA-N
MW208.26 g/mol
LogP0.88
Rot. Bonds1

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

(2R)-2-propan-2-yl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one (PubChem CID 154680498) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2R)-2-propan-2-yl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one.

Molecular Properties

Compound Name(2R)-2-propan-2-yl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one
PubChem CID154680498
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(2R)-2-propan-2-yl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one
SMILESCC(C)[C@@H]1CNCc2[nH]c(=O)ccc2O1
InChIInChI=1S/C11H16N2O2/c1-7(2)10-6-12-5-8-9(15-10)3-4-11(14)13-8/h3-4,7,10,12H,5-6H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyISGJGMJDNIFLAC-JTQLQIEISA-N
XLogP0.88
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-propan-2-yl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one?
The IUPAC name of (2R)-2-propan-2-yl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one (CID 154680498) is (2R)-2-propan-2-yl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one.
What is the SMILES notation for (2R)-2-propan-2-yl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one?
The canonical SMILES for (2R)-2-propan-2-yl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one is CC(C)[C@@H]1CNCc2[nH]c(=O)ccc2O1.
What is the InChIKey of (2R)-2-propan-2-yl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one?
The InChIKey is ISGJGMJDNIFLAC-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7(2)10-6-12-5-8-9(15-10)3-4-11(14)13-8/h3-4,7,10,12H,5-6H2,1-2H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2R)-2-propan-2-yl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one?
(2R)-2-propan-2-yl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one has a molecular weight of 208.26 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-propan-2-yl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one is sourced from PubChem (CID 154680498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).