(3S,4R)-1,3,4-trimethyl-3,4-dihydropyrido[2,3-b][1,4]oxazepin-2-one

C11H14N2O2 — CID 158752550

IUPAC(3S,4R)-1,3,4-trimethyl-3,4-dihydropyrido[2,3-b][1,4]oxazepin-2-one
SMILESC[C@@H]1C(=O)N(C)c2cccnc2O[C@@H]1C
InChIInChI=1S/C11H14N2O2/c1-7-8(2)15-10-9(5-4-6-12-10)13(3)11(7)14/h4-8H,1-3H3/t7-,8+/m0/s1
InChIKeyTUUNHWUAFMPZHP-JGVFFNPUSA-N
MW206.24 g/mol
LogP1.46
Rot. Bonds

About (3S,4R)-1,3,4-trimethyl-3,4-dihydropyrido[2,3-b][1,4]oxazepin-2-one

(3S,4R)-1,3,4-trimethyl-3,4-dihydropyrido[2,3-b][1,4]oxazepin-2-one (PubChem CID 158752550) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is (3S,4R)-1,3,4-trimethyl-3,4-dihydropyrido[2,3-b][1,4]oxazepin-2-one.

Molecular Properties

Compound Name(3S,4R)-1,3,4-trimethyl-3,4-dihydropyrido[2,3-b][1,4]oxazepin-2-one
PubChem CID158752550
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name(3S,4R)-1,3,4-trimethyl-3,4-dihydropyrido[2,3-b][1,4]oxazepin-2-one
SMILESC[C@@H]1C(=O)N(C)c2cccnc2O[C@@H]1C
InChIInChI=1S/C11H14N2O2/c1-7-8(2)15-10-9(5-4-6-12-10)13(3)11(7)14/h4-8H,1-3H3/t7-,8+/m0/s1
InChIKeyTUUNHWUAFMPZHP-JGVFFNPUSA-N
XLogP1.46
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1,3,4-trimethyl-3,4-dihydropyrido[2,3-b][1,4]oxazepin-2-one?
The IUPAC name of (3S,4R)-1,3,4-trimethyl-3,4-dihydropyrido[2,3-b][1,4]oxazepin-2-one (CID 158752550) is (3S,4R)-1,3,4-trimethyl-3,4-dihydropyrido[2,3-b][1,4]oxazepin-2-one.
What is the SMILES notation for (3S,4R)-1,3,4-trimethyl-3,4-dihydropyrido[2,3-b][1,4]oxazepin-2-one?
The canonical SMILES for (3S,4R)-1,3,4-trimethyl-3,4-dihydropyrido[2,3-b][1,4]oxazepin-2-one is C[C@@H]1C(=O)N(C)c2cccnc2O[C@@H]1C.
What is the InChIKey of (3S,4R)-1,3,4-trimethyl-3,4-dihydropyrido[2,3-b][1,4]oxazepin-2-one?
The InChIKey is TUUNHWUAFMPZHP-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7-8(2)15-10-9(5-4-6-12-10)13(3)11(7)14/h4-8H,1-3H3/t7-,8+/m0/s1.
What are the key properties of (3S,4R)-1,3,4-trimethyl-3,4-dihydropyrido[2,3-b][1,4]oxazepin-2-one?
(3S,4R)-1,3,4-trimethyl-3,4-dihydropyrido[2,3-b][1,4]oxazepin-2-one has a molecular weight of 206.24 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1,3,4-trimethyl-3,4-dihydropyrido[2,3-b][1,4]oxazepin-2-one is sourced from PubChem (CID 158752550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).