ethane;4H-1,4-oxazine

C6H11NO — CID 143849715

IUPACethane;4H-1,4-oxazine
SMILESC1=COC=CN1.CC
InChIInChI=1S/C4H5NO.C2H6/c1-3-6-4-2-5-1;1-2/h1-5H;1-2H3
InChIKeyLGBCWFBWVUQQSR-UHFFFAOYSA-N
MW113.16 g/mol
LogP1.57
Rot. Bonds

About ethane;4H-1,4-oxazine

ethane;4H-1,4-oxazine (PubChem CID 143849715) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is ethane;4H-1,4-oxazine.

Molecular Properties

Compound Nameethane;4H-1,4-oxazine
PubChem CID143849715
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Nameethane;4H-1,4-oxazine
SMILESC1=COC=CN1.CC
InChIInChI=1S/C4H5NO.C2H6/c1-3-6-4-2-5-1;1-2/h1-5H;1-2H3
InChIKeyLGBCWFBWVUQQSR-UHFFFAOYSA-N
XLogP1.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4H-1,4-oxazine?
The IUPAC name of ethane;4H-1,4-oxazine (CID 143849715) is ethane;4H-1,4-oxazine.
What is the SMILES notation for ethane;4H-1,4-oxazine?
The canonical SMILES for ethane;4H-1,4-oxazine is C1=COC=CN1.CC.
What is the InChIKey of ethane;4H-1,4-oxazine?
The InChIKey is LGBCWFBWVUQQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO.C2H6/c1-3-6-4-2-5-1;1-2/h1-5H;1-2H3.
What are the key properties of ethane;4H-1,4-oxazine?
ethane;4H-1,4-oxazine has a molecular weight of 113.16 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4H-1,4-oxazine is sourced from PubChem (CID 143849715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).