2,2-dimethyl-3,6-dihydro-1,3-oxazine

C6H11NO — CID 129144735

IUPAC2,2-dimethyl-3,6-dihydro-1,3-oxazine
SMILESCC1(C)NC=CCO1
InChIInChI=1S/C6H11NO/c1-6(2)7-4-3-5-8-6/h3-4,7H,5H2,1-2H3
InChIKeyXGNDBXPIKJQRSC-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.86
Rot. Bonds

About 2,2-dimethyl-3,6-dihydro-1,3-oxazine

2,2-dimethyl-3,6-dihydro-1,3-oxazine (PubChem CID 129144735) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2,2-dimethyl-3,6-dihydro-1,3-oxazine.

Molecular Properties

Compound Name2,2-dimethyl-3,6-dihydro-1,3-oxazine
PubChem CID129144735
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2,2-dimethyl-3,6-dihydro-1,3-oxazine
SMILESCC1(C)NC=CCO1
InChIInChI=1S/C6H11NO/c1-6(2)7-4-3-5-8-6/h3-4,7H,5H2,1-2H3
InChIKeyXGNDBXPIKJQRSC-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3,6-dihydro-1,3-oxazine?
The IUPAC name of 2,2-dimethyl-3,6-dihydro-1,3-oxazine (CID 129144735) is 2,2-dimethyl-3,6-dihydro-1,3-oxazine.
What is the SMILES notation for 2,2-dimethyl-3,6-dihydro-1,3-oxazine?
The canonical SMILES for 2,2-dimethyl-3,6-dihydro-1,3-oxazine is CC1(C)NC=CCO1.
What is the InChIKey of 2,2-dimethyl-3,6-dihydro-1,3-oxazine?
The InChIKey is XGNDBXPIKJQRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-6(2)7-4-3-5-8-6/h3-4,7H,5H2,1-2H3.
What are the key properties of 2,2-dimethyl-3,6-dihydro-1,3-oxazine?
2,2-dimethyl-3,6-dihydro-1,3-oxazine has a molecular weight of 113.16 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3,6-dihydro-1,3-oxazine is sourced from PubChem (CID 129144735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).