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

C8H13NO2 — CID 23545755

IUPAC2-tert-butyl-4,5-dihydro-1,3-oxazin-6-one
SMILESCC(C)(C)C1=NCCC(=O)O1
InChIInChI=1S/C8H13NO2/c1-8(2,3)7-9-5-4-6(10)11-7/h4-5H2,1-3H3
InChIKeyNINFLPNSQFQJJK-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.38
Rot. Bonds

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

2-tert-butyl-4,5-dihydro-1,3-oxazin-6-one (PubChem CID 23545755) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-tert-butyl-4,5-dihydro-1,3-oxazin-6-one.

Molecular Properties

Compound Name2-tert-butyl-4,5-dihydro-1,3-oxazin-6-one
PubChem CID23545755
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-tert-butyl-4,5-dihydro-1,3-oxazin-6-one
SMILESCC(C)(C)C1=NCCC(=O)O1
InChIInChI=1S/C8H13NO2/c1-8(2,3)7-9-5-4-6(10)11-7/h4-5H2,1-3H3
InChIKeyNINFLPNSQFQJJK-UHFFFAOYSA-N
XLogP1.38
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Dimethyl-4,5-dihydro-1,3-oxazin-6-one
CID 20758046
Ethyl 3-isocyanato-2,2-dimethylpropanoate
CID 101499562

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,5-dihydro-1,3-oxazin-6-one?
The IUPAC name of 2-tert-butyl-4,5-dihydro-1,3-oxazin-6-one (CID 23545755) is 2-tert-butyl-4,5-dihydro-1,3-oxazin-6-one.
What is the SMILES notation for 2-tert-butyl-4,5-dihydro-1,3-oxazin-6-one?
The canonical SMILES for 2-tert-butyl-4,5-dihydro-1,3-oxazin-6-one is CC(C)(C)C1=NCCC(=O)O1.
What is the InChIKey of 2-tert-butyl-4,5-dihydro-1,3-oxazin-6-one?
The InChIKey is NINFLPNSQFQJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-8(2,3)7-9-5-4-6(10)11-7/h4-5H2,1-3H3.
What are the key properties of 2-tert-butyl-4,5-dihydro-1,3-oxazin-6-one?
2-tert-butyl-4,5-dihydro-1,3-oxazin-6-one has a molecular weight of 155.20 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,5-dihydro-1,3-oxazin-6-one is sourced from PubChem (CID 23545755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).