3,4-dimethyl-6-methylidene-1,3-oxazinan-2-one

C7H11NO2 — CID 123553471

IUPAC3,4-dimethyl-6-methylidene-1,3-oxazinan-2-one
SMILESC=C1CC(C)N(C)C(=O)O1
InChIInChI=1S/C7H11NO2/c1-5-4-6(2)10-7(9)8(5)3/h5H,2,4H2,1,3H3
InChIKeyWJEVSMYLMGYWRN-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.36
Rot. Bonds

About 3,4-dimethyl-6-methylidene-1,3-oxazinan-2-one

3,4-dimethyl-6-methylidene-1,3-oxazinan-2-one (PubChem CID 123553471) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 3,4-dimethyl-6-methylidene-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3,4-dimethyl-6-methylidene-1,3-oxazinan-2-one
PubChem CID123553471
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name3,4-dimethyl-6-methylidene-1,3-oxazinan-2-one
SMILESC=C1CC(C)N(C)C(=O)O1
InChIInChI=1S/C7H11NO2/c1-5-4-6(2)10-7(9)8(5)3/h5H,2,4H2,1,3H3
InChIKeyWJEVSMYLMGYWRN-UHFFFAOYSA-N
XLogP1.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6-methylidene-1,3-oxazinan-2-one?
The IUPAC name of 3,4-dimethyl-6-methylidene-1,3-oxazinan-2-one (CID 123553471) is 3,4-dimethyl-6-methylidene-1,3-oxazinan-2-one.
What is the SMILES notation for 3,4-dimethyl-6-methylidene-1,3-oxazinan-2-one?
The canonical SMILES for 3,4-dimethyl-6-methylidene-1,3-oxazinan-2-one is C=C1CC(C)N(C)C(=O)O1.
What is the InChIKey of 3,4-dimethyl-6-methylidene-1,3-oxazinan-2-one?
The InChIKey is WJEVSMYLMGYWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5-4-6(2)10-7(9)8(5)3/h5H,2,4H2,1,3H3.
What are the key properties of 3,4-dimethyl-6-methylidene-1,3-oxazinan-2-one?
3,4-dimethyl-6-methylidene-1,3-oxazinan-2-one has a molecular weight of 141.17 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6-methylidene-1,3-oxazinan-2-one is sourced from PubChem (CID 123553471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).