3,6-dimethyl-2-oxido-5,6-dihydro-4H-oxazin-2-ium

C6H11NO2 — CID 71367612

IUPAC3,6-dimethyl-2-oxido-5,6-dihydro-4H-oxazin-2-ium
SMILESCC1=[N+]([O-])OC(C)CC1
InChIInChI=1S/C6H11NO2/c1-5-3-4-6(2)9-7(5)8/h6H,3-4H2,1-2H3
InChIKeyAWSVSGBKVLCAJH-UHFFFAOYSA-N
MW129.16 g/mol
LogP1.07
Rot. Bonds

About 3,6-dimethyl-2-oxido-5,6-dihydro-4H-oxazin-2-ium

3,6-dimethyl-2-oxido-5,6-dihydro-4H-oxazin-2-ium (PubChem CID 71367612) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 3,6-dimethyl-2-oxido-5,6-dihydro-4H-oxazin-2-ium.

Molecular Properties

Compound Name3,6-dimethyl-2-oxido-5,6-dihydro-4H-oxazin-2-ium
PubChem CID71367612
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name3,6-dimethyl-2-oxido-5,6-dihydro-4H-oxazin-2-ium
SMILESCC1=[N+]([O-])OC(C)CC1
InChIInChI=1S/C6H11NO2/c1-5-3-4-6(2)9-7(5)8/h6H,3-4H2,1-2H3
InChIKeyAWSVSGBKVLCAJH-UHFFFAOYSA-N
XLogP1.07
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2-oxido-5,6-dihydro-4H-oxazin-2-ium?
The IUPAC name of 3,6-dimethyl-2-oxido-5,6-dihydro-4H-oxazin-2-ium (CID 71367612) is 3,6-dimethyl-2-oxido-5,6-dihydro-4H-oxazin-2-ium.
What is the SMILES notation for 3,6-dimethyl-2-oxido-5,6-dihydro-4H-oxazin-2-ium?
The canonical SMILES for 3,6-dimethyl-2-oxido-5,6-dihydro-4H-oxazin-2-ium is CC1=[N+]([O-])OC(C)CC1.
What is the InChIKey of 3,6-dimethyl-2-oxido-5,6-dihydro-4H-oxazin-2-ium?
The InChIKey is AWSVSGBKVLCAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5-3-4-6(2)9-7(5)8/h6H,3-4H2,1-2H3.
What are the key properties of 3,6-dimethyl-2-oxido-5,6-dihydro-4H-oxazin-2-ium?
3,6-dimethyl-2-oxido-5,6-dihydro-4H-oxazin-2-ium has a molecular weight of 129.16 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2-oxido-5,6-dihydro-4H-oxazin-2-ium is sourced from PubChem (CID 71367612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).