2,2-dimethyl-3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepin-7-one

C10H14N2O2 — CID 154680530

IUPAC2,2-dimethyl-3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepin-7-one
SMILESCC1(C)CNCc2[nH]c(=O)ccc2O1
InChIInChI=1S/C10H14N2O2/c1-10(2)6-11-5-7-8(14-10)3-4-9(13)12-7/h3-4,11H,5-6H2,1-2H3,(H,12,13)
InChIKeyNJMPRHSXADRJGW-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.64
Rot. Bonds

About 2,2-dimethyl-3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepin-7-one

2,2-dimethyl-3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepin-7-one (PubChem CID 154680530) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2,2-dimethyl-3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepin-7-one.

Molecular Properties

Compound Name2,2-dimethyl-3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepin-7-one
PubChem CID154680530
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2,2-dimethyl-3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepin-7-one
SMILESCC1(C)CNCc2[nH]c(=O)ccc2O1
InChIInChI=1S/C10H14N2O2/c1-10(2)6-11-5-7-8(14-10)3-4-9(13)12-7/h3-4,11H,5-6H2,1-2H3,(H,12,13)
InChIKeyNJMPRHSXADRJGW-UHFFFAOYSA-N
XLogP0.64
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
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 2,2-dimethyl-3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepin-7-one?
The IUPAC name of 2,2-dimethyl-3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepin-7-one (CID 154680530) is 2,2-dimethyl-3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepin-7-one.
What is the SMILES notation for 2,2-dimethyl-3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepin-7-one?
The canonical SMILES for 2,2-dimethyl-3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepin-7-one is CC1(C)CNCc2[nH]c(=O)ccc2O1.
What is the InChIKey of 2,2-dimethyl-3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepin-7-one?
The InChIKey is NJMPRHSXADRJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-10(2)6-11-5-7-8(14-10)3-4-9(13)12-7/h3-4,11H,5-6H2,1-2H3,(H,12,13).
What are the key properties of 2,2-dimethyl-3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepin-7-one?
2,2-dimethyl-3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepin-7-one has a molecular weight of 194.23 g/mol, XLogP of 0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepin-7-one is sourced from PubChem (CID 154680530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).