ethane;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

C10H15NO2 — CID 142280408

IUPACethane;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCC.Cc1ccc2c(n1)OCCO2
InChIInChI=1S/C8H9NO2.C2H6/c1-6-2-3-7-8(9-6)11-5-4-10-7;1-2/h2-3H,4-5H2,1H3;1-2H3
InChIKeyFZKKITXNAHUTPN-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.19
Rot. Bonds

About ethane;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

ethane;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 142280408) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is ethane;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

Compound Nameethane;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
PubChem CID142280408
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Nameethane;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCC.Cc1ccc2c(n1)OCCO2
InChIInChI=1S/C8H9NO2.C2H6/c1-6-2-3-7-8(9-6)11-5-4-10-7;1-2/h2-3H,4-5H2,1H3;1-2H3
InChIKeyFZKKITXNAHUTPN-UHFFFAOYSA-N
XLogP2.19
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The IUPAC name of ethane;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (CID 142280408) is ethane;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.
What is the SMILES notation for ethane;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The canonical SMILES for ethane;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is CC.Cc1ccc2c(n1)OCCO2.
What is the InChIKey of ethane;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The InChIKey is FZKKITXNAHUTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C2H6/c1-6-2-3-7-8(9-6)11-5-4-10-7;1-2/h2-3H,4-5H2,1H3;1-2H3.
What are the key properties of ethane;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
ethane;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine has a molecular weight of 181.23 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 142280408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).