ethane;3-methyl-5,6-dihydro-1,4,2-dioxazine

C6H13NO2 — CID 90832500

IUPACethane;3-methyl-5,6-dihydro-1,4,2-dioxazine
SMILESCC.CC1=NOCCO1
InChIInChI=1S/C4H7NO2.C2H6/c1-4-5-7-3-2-6-4;1-2/h2-3H2,1H3;1-2H3
InChIKeyYZIWIAQZAUMEHS-UHFFFAOYSA-N
MW131.18 g/mol
LogP1.39
Rot. Bonds

About ethane;3-methyl-5,6-dihydro-1,4,2-dioxazine

ethane;3-methyl-5,6-dihydro-1,4,2-dioxazine (PubChem CID 90832500) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is ethane;3-methyl-5,6-dihydro-1,4,2-dioxazine.

Molecular Properties

Compound Nameethane;3-methyl-5,6-dihydro-1,4,2-dioxazine
PubChem CID90832500
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Nameethane;3-methyl-5,6-dihydro-1,4,2-dioxazine
SMILESCC.CC1=NOCCO1
InChIInChI=1S/C4H7NO2.C2H6/c1-4-5-7-3-2-6-4;1-2/h2-3H2,1H3;1-2H3
InChIKeyYZIWIAQZAUMEHS-UHFFFAOYSA-N
XLogP1.39
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-5,6-dihydro-1,4,2-dioxazine?
The IUPAC name of ethane;3-methyl-5,6-dihydro-1,4,2-dioxazine (CID 90832500) is ethane;3-methyl-5,6-dihydro-1,4,2-dioxazine.
What is the SMILES notation for ethane;3-methyl-5,6-dihydro-1,4,2-dioxazine?
The canonical SMILES for ethane;3-methyl-5,6-dihydro-1,4,2-dioxazine is CC.CC1=NOCCO1.
What is the InChIKey of ethane;3-methyl-5,6-dihydro-1,4,2-dioxazine?
The InChIKey is YZIWIAQZAUMEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2.C2H6/c1-4-5-7-3-2-6-4;1-2/h2-3H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-5,6-dihydro-1,4,2-dioxazine?
ethane;3-methyl-5,6-dihydro-1,4,2-dioxazine has a molecular weight of 131.18 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-5,6-dihydro-1,4,2-dioxazine is sourced from PubChem (CID 90832500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).