4-ethyl-3-methyl-6-methylidene-1,3-oxazinan-2-one

C8H13NO2 — CID 123732945

IUPAC4-ethyl-3-methyl-6-methylidene-1,3-oxazinan-2-one
SMILESC=C1CC(CC)N(C)C(=O)O1
InChIInChI=1S/C8H13NO2/c1-4-7-5-6(2)11-8(10)9(7)3/h7H,2,4-5H2,1,3H3
InChIKeyNTMIYYWZSWUAMG-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.75
Rot. Bonds1

About 4-ethyl-3-methyl-6-methylidene-1,3-oxazinan-2-one

4-ethyl-3-methyl-6-methylidene-1,3-oxazinan-2-one (PubChem CID 123732945) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-ethyl-3-methyl-6-methylidene-1,3-oxazinan-2-one.

Molecular Properties

Compound Name4-ethyl-3-methyl-6-methylidene-1,3-oxazinan-2-one
PubChem CID123732945
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4-ethyl-3-methyl-6-methylidene-1,3-oxazinan-2-one
SMILESC=C1CC(CC)N(C)C(=O)O1
InChIInChI=1S/C8H13NO2/c1-4-7-5-6(2)11-8(10)9(7)3/h7H,2,4-5H2,1,3H3
InChIKeyNTMIYYWZSWUAMG-UHFFFAOYSA-N
XLogP1.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methyl-6-methylidene-1,3-oxazinan-2-one?
The IUPAC name of 4-ethyl-3-methyl-6-methylidene-1,3-oxazinan-2-one (CID 123732945) is 4-ethyl-3-methyl-6-methylidene-1,3-oxazinan-2-one.
What is the SMILES notation for 4-ethyl-3-methyl-6-methylidene-1,3-oxazinan-2-one?
The canonical SMILES for 4-ethyl-3-methyl-6-methylidene-1,3-oxazinan-2-one is C=C1CC(CC)N(C)C(=O)O1.
What is the InChIKey of 4-ethyl-3-methyl-6-methylidene-1,3-oxazinan-2-one?
The InChIKey is NTMIYYWZSWUAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-4-7-5-6(2)11-8(10)9(7)3/h7H,2,4-5H2,1,3H3.
What are the key properties of 4-ethyl-3-methyl-6-methylidene-1,3-oxazinan-2-one?
4-ethyl-3-methyl-6-methylidene-1,3-oxazinan-2-one has a molecular weight of 155.20 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methyl-6-methylidene-1,3-oxazinan-2-one is sourced from PubChem (CID 123732945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).