8-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-c]azepine

C9H11NO2 — CID 66837152

IUPAC8-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-c]azepine
SMILESCC1=CNC=C2OCCOC2=C1
InChIInChI=1S/C9H11NO2/c1-7-4-8-9(6-10-5-7)12-3-2-11-8/h4-6,10H,2-3H2,1H3
InChIKeyJDIVNNYXDCRPKK-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.27
Rot. Bonds

About 8-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-c]azepine

8-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-c]azepine (PubChem CID 66837152) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 8-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-c]azepine.

Molecular Properties

Compound Name8-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-c]azepine
PubChem CID66837152
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name8-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-c]azepine
SMILESCC1=CNC=C2OCCOC2=C1
InChIInChI=1S/C9H11NO2/c1-7-4-8-9(6-10-5-7)12-3-2-11-8/h4-6,10H,2-3H2,1H3
InChIKeyJDIVNNYXDCRPKK-UHFFFAOYSA-N
XLogP1.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-c]azepine?
The IUPAC name of 8-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-c]azepine (CID 66837152) is 8-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-c]azepine.
What is the SMILES notation for 8-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-c]azepine?
The canonical SMILES for 8-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-c]azepine is CC1=CNC=C2OCCOC2=C1.
What is the InChIKey of 8-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-c]azepine?
The InChIKey is JDIVNNYXDCRPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-7-4-8-9(6-10-5-7)12-3-2-11-8/h4-6,10H,2-3H2,1H3.
What are the key properties of 8-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-c]azepine?
8-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-c]azepine has a molecular weight of 165.19 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-c]azepine is sourced from PubChem (CID 66837152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).