2,4,4-trimethyl-5,6-dihydro-1,3-oxazine

C7H13NO — CID 10534674

IUPAC2,4,4-trimethyl-5,6-dihydro-1,3-oxazine
SMILESCC1=NC(C)(C)CCO1
InChIInChI=1S/C7H13NO/c1-6-8-7(2,3)4-5-9-6/h4-5H2,1-3H3
InChIKeyVMTPDTRLWYZILL-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.60
Rot. Bonds

About 2,4,4-trimethyl-5,6-dihydro-1,3-oxazine

2,4,4-trimethyl-5,6-dihydro-1,3-oxazine (PubChem CID 10534674) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2,4,4-trimethyl-5,6-dihydro-1,3-oxazine.

Molecular Properties

Compound Name2,4,4-trimethyl-5,6-dihydro-1,3-oxazine
PubChem CID10534674
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2,4,4-trimethyl-5,6-dihydro-1,3-oxazine
SMILESCC1=NC(C)(C)CCO1
InChIInChI=1S/C7H13NO/c1-6-8-7(2,3)4-5-9-6/h4-5H2,1-3H3
InChIKeyVMTPDTRLWYZILL-UHFFFAOYSA-N
XLogP1.60
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-5,6-dihydro-1,3-oxazine?
The IUPAC name of 2,4,4-trimethyl-5,6-dihydro-1,3-oxazine (CID 10534674) is 2,4,4-trimethyl-5,6-dihydro-1,3-oxazine.
What is the SMILES notation for 2,4,4-trimethyl-5,6-dihydro-1,3-oxazine?
The canonical SMILES for 2,4,4-trimethyl-5,6-dihydro-1,3-oxazine is CC1=NC(C)(C)CCO1.
What is the InChIKey of 2,4,4-trimethyl-5,6-dihydro-1,3-oxazine?
The InChIKey is VMTPDTRLWYZILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6-8-7(2,3)4-5-9-6/h4-5H2,1-3H3.
What are the key properties of 2,4,4-trimethyl-5,6-dihydro-1,3-oxazine?
2,4,4-trimethyl-5,6-dihydro-1,3-oxazine has a molecular weight of 127.19 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-5,6-dihydro-1,3-oxazine is sourced from PubChem (CID 10534674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).