3,3-dimethyl-5-propan-2-yl-2H-1,4-oxazin-6-one

C9H15NO2 — CID 86227487

IUPAC3,3-dimethyl-5-propan-2-yl-2H-1,4-oxazin-6-one
SMILESCC(C)C1=NC(C)(C)COC1=O
InChIInChI=1S/C9H15NO2/c1-6(2)7-8(11)12-5-9(3,4)10-7/h6H,5H2,1-4H3
InChIKeyLEEWUNBRKQBFJI-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.42
Rot. Bonds1

About 3,3-dimethyl-5-propan-2-yl-2H-1,4-oxazin-6-one

3,3-dimethyl-5-propan-2-yl-2H-1,4-oxazin-6-one (PubChem CID 86227487) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3,3-dimethyl-5-propan-2-yl-2H-1,4-oxazin-6-one.

Molecular Properties

Compound Name3,3-dimethyl-5-propan-2-yl-2H-1,4-oxazin-6-one
PubChem CID86227487
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3,3-dimethyl-5-propan-2-yl-2H-1,4-oxazin-6-one
SMILESCC(C)C1=NC(C)(C)COC1=O
InChIInChI=1S/C9H15NO2/c1-6(2)7-8(11)12-5-9(3,4)10-7/h6H,5H2,1-4H3
InChIKeyLEEWUNBRKQBFJI-UHFFFAOYSA-N
XLogP1.42
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-5-propan-2-yl-2H-1,4-oxazin-6-one with MolForge

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Launch Full Analysis

Related Compounds

(3S)-3-methyl-6-oxo-5-propan-2-yl-2H-1,4-oxazine-3-carbonitrile
CID 11286818
(3S)-5-methyl-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one
CID 15206014
Ethyl 2,3-dimethylazirine-2-carboxylate
CID 21766188
2,3,3,5-Tetramethyl-2H-1,4-oxazin-6-one
CID 14065111
[3-(acetyloxymethyl)-5-methyl-6-oxo-2H-1,4-oxazin-3-yl]methyl acetate
CID 121006261
Ethyl 2-methyl-3-methyliminobutanoate
CID 12399141
4-Ethyl-4-methyl-2-propan-2-yl-1,3-oxazol-5-one
CID 19803336
3,5,5-Trimethyl-5,6-dihydro-2H-1,4-oxazin-2-one
CID 19910031
methyl 2-(3,3-dimethyl-6-oxo-2H-1,4-oxazin-5-yl)acetate
CID 54443438
2,2-Dimethylpropyl 3-methyl-2-methyliminobutanoate
CID 57056842
Ethyl 3-methyl-2-methyliminobutanoate
CID 123176701
Ethyl 2-methoxycarbonylimino-3-methylbutanoate
CID 123209502

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-propan-2-yl-2H-1,4-oxazin-6-one?
The IUPAC name of 3,3-dimethyl-5-propan-2-yl-2H-1,4-oxazin-6-one (CID 86227487) is 3,3-dimethyl-5-propan-2-yl-2H-1,4-oxazin-6-one.
What is the SMILES notation for 3,3-dimethyl-5-propan-2-yl-2H-1,4-oxazin-6-one?
The canonical SMILES for 3,3-dimethyl-5-propan-2-yl-2H-1,4-oxazin-6-one is CC(C)C1=NC(C)(C)COC1=O.
What is the InChIKey of 3,3-dimethyl-5-propan-2-yl-2H-1,4-oxazin-6-one?
The InChIKey is LEEWUNBRKQBFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6(2)7-8(11)12-5-9(3,4)10-7/h6H,5H2,1-4H3.
What are the key properties of 3,3-dimethyl-5-propan-2-yl-2H-1,4-oxazin-6-one?
3,3-dimethyl-5-propan-2-yl-2H-1,4-oxazin-6-one has a molecular weight of 169.22 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-propan-2-yl-2H-1,4-oxazin-6-one is sourced from PubChem (CID 86227487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).