3-tert-butyl-5,6-dimethyl-2H-1,3-oxazin-4-one

C10H17NO2 — CID 54480933

IUPAC3-tert-butyl-5,6-dimethyl-2H-1,3-oxazin-4-one
SMILESCC1=C(C)C(=O)N(C(C)(C)C)CO1
InChIInChI=1S/C10H17NO2/c1-7-8(2)13-6-11(9(7)12)10(3,4)5/h6H2,1-5H3
InChIKeyXOYIZQATCKKIID-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.90
Rot. Bonds

About 3-tert-butyl-5,6-dimethyl-2H-1,3-oxazin-4-one

3-tert-butyl-5,6-dimethyl-2H-1,3-oxazin-4-one (PubChem CID 54480933) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-tert-butyl-5,6-dimethyl-2H-1,3-oxazin-4-one.

Molecular Properties

Compound Name3-tert-butyl-5,6-dimethyl-2H-1,3-oxazin-4-one
PubChem CID54480933
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-tert-butyl-5,6-dimethyl-2H-1,3-oxazin-4-one
SMILESCC1=C(C)C(=O)N(C(C)(C)C)CO1
InChIInChI=1S/C10H17NO2/c1-7-8(2)13-6-11(9(7)12)10(3,4)5/h6H2,1-5H3
InChIKeyXOYIZQATCKKIID-UHFFFAOYSA-N
XLogP1.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5,6-dimethyl-2H-1,3-oxazin-4-one?
The IUPAC name of 3-tert-butyl-5,6-dimethyl-2H-1,3-oxazin-4-one (CID 54480933) is 3-tert-butyl-5,6-dimethyl-2H-1,3-oxazin-4-one.
What is the SMILES notation for 3-tert-butyl-5,6-dimethyl-2H-1,3-oxazin-4-one?
The canonical SMILES for 3-tert-butyl-5,6-dimethyl-2H-1,3-oxazin-4-one is CC1=C(C)C(=O)N(C(C)(C)C)CO1.
What is the InChIKey of 3-tert-butyl-5,6-dimethyl-2H-1,3-oxazin-4-one?
The InChIKey is XOYIZQATCKKIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7-8(2)13-6-11(9(7)12)10(3,4)5/h6H2,1-5H3.
What are the key properties of 3-tert-butyl-5,6-dimethyl-2H-1,3-oxazin-4-one?
3-tert-butyl-5,6-dimethyl-2H-1,3-oxazin-4-one has a molecular weight of 183.25 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5,6-dimethyl-2H-1,3-oxazin-4-one is sourced from PubChem (CID 54480933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).