7,7,9-trimethyl-2,3-dihydro-[1,4]dioxino[2,3-b]azepine

C11H15NO2 — CID 144980166

IUPAC7,7,9-trimethyl-2,3-dihydro-[1,4]dioxino[2,3-b]azepine
SMILESCC1=CC(C)(C)C=NC2=C1OCCO2
InChIInChI=1S/C11H15NO2/c1-8-6-11(2,3)7-12-10-9(8)13-4-5-14-10/h6-7H,4-5H2,1-3H3
InChIKeyYRBJUXPQRBEIHX-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.26
Rot. Bonds

About 7,7,9-trimethyl-2,3-dihydro-[1,4]dioxino[2,3-b]azepine

7,7,9-trimethyl-2,3-dihydro-[1,4]dioxino[2,3-b]azepine (PubChem CID 144980166) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 7,7,9-trimethyl-2,3-dihydro-[1,4]dioxino[2,3-b]azepine.

Molecular Properties

Compound Name7,7,9-trimethyl-2,3-dihydro-[1,4]dioxino[2,3-b]azepine
PubChem CID144980166
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name7,7,9-trimethyl-2,3-dihydro-[1,4]dioxino[2,3-b]azepine
SMILESCC1=CC(C)(C)C=NC2=C1OCCO2
InChIInChI=1S/C11H15NO2/c1-8-6-11(2,3)7-12-10-9(8)13-4-5-14-10/h6-7H,4-5H2,1-3H3
InChIKeyYRBJUXPQRBEIHX-UHFFFAOYSA-N
XLogP2.26
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7,7,9-trimethyl-2,3-dihydro-[1,4]dioxino[2,3-b]azepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,7,9-trimethyl-2,3-dihydro-[1,4]dioxino[2,3-b]azepine?
The IUPAC name of 7,7,9-trimethyl-2,3-dihydro-[1,4]dioxino[2,3-b]azepine (CID 144980166) is 7,7,9-trimethyl-2,3-dihydro-[1,4]dioxino[2,3-b]azepine.
What is the SMILES notation for 7,7,9-trimethyl-2,3-dihydro-[1,4]dioxino[2,3-b]azepine?
The canonical SMILES for 7,7,9-trimethyl-2,3-dihydro-[1,4]dioxino[2,3-b]azepine is CC1=CC(C)(C)C=NC2=C1OCCO2.
What is the InChIKey of 7,7,9-trimethyl-2,3-dihydro-[1,4]dioxino[2,3-b]azepine?
The InChIKey is YRBJUXPQRBEIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8-6-11(2,3)7-12-10-9(8)13-4-5-14-10/h6-7H,4-5H2,1-3H3.
What are the key properties of 7,7,9-trimethyl-2,3-dihydro-[1,4]dioxino[2,3-b]azepine?
7,7,9-trimethyl-2,3-dihydro-[1,4]dioxino[2,3-b]azepine has a molecular weight of 193.25 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,9-trimethyl-2,3-dihydro-[1,4]dioxino[2,3-b]azepine is sourced from PubChem (CID 144980166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).