6-(3-aminophenyl)-3-methyl-1,3-oxazinan-2-one

C11H14N2O2 — CID 83882816

IUPAC6-(3-aminophenyl)-3-methyl-1,3-oxazinan-2-one
SMILESCN1CCC(c2cccc(N)c2)OC1=O
InChIInChI=1S/C11H14N2O2/c1-13-6-5-10(15-11(13)14)8-3-2-4-9(12)7-8/h2-4,7,10H,5-6,12H2,1H3
InChIKeyWAUBRMFSZKGQPY-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.78
Rot. Bonds1

About 6-(3-aminophenyl)-3-methyl-1,3-oxazinan-2-one

6-(3-aminophenyl)-3-methyl-1,3-oxazinan-2-one (PubChem CID 83882816) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 6-(3-aminophenyl)-3-methyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-(3-aminophenyl)-3-methyl-1,3-oxazinan-2-one
PubChem CID83882816
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name6-(3-aminophenyl)-3-methyl-1,3-oxazinan-2-one
SMILESCN1CCC(c2cccc(N)c2)OC1=O
InChIInChI=1S/C11H14N2O2/c1-13-6-5-10(15-11(13)14)8-3-2-4-9(12)7-8/h2-4,7,10H,5-6,12H2,1H3
InChIKeyWAUBRMFSZKGQPY-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-(3-aminophenyl)-3-methyl-1,3-oxazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-aminophenyl)-1-methyl-1,3-diazinan-2-one
CID 105457644
(6S)-6-(3-fluoro-4-methylphenyl)-3-methyl-1,3-oxazinan-2-one
CID 143505729
6-(4-bromophenyl)-3-methyl-1,3-oxazinan-2-one
CID 83903277
3-(4-methylmorpholin-2-yl)aniline
CID 82275083
3-(3-aminophenyl)-6-methyl-1,3-oxazinan-2-one
CID 105458794
6-(3-aminophenyl)-5-hydroxy-1-methylpiperidin-2-one
CID 105475712
3-(3-aminophenyl)sulfinyl-1-methylpyrrolidin-2-one
CID 81180893
2-(3-aminophenyl)-4-methyl-1,4-benzoxazin-3-one
CID 116990980
2-(3-aminophenyl)-1-propan-2-ylpiperidin-3-one
CID 105491439
3-(2-methylcyclopentyl)aniline
CID 165463165
5-(3-chlorophenyl)-3-cyclopropyl-1,3-oxazolidin-2-one
CID 82083954
3-(1-ethylpyrrolidin-3-yl)aniline
CID 46941945

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminophenyl)-3-methyl-1,3-oxazinan-2-one?
The IUPAC name of 6-(3-aminophenyl)-3-methyl-1,3-oxazinan-2-one (CID 83882816) is 6-(3-aminophenyl)-3-methyl-1,3-oxazinan-2-one.
What is the SMILES notation for 6-(3-aminophenyl)-3-methyl-1,3-oxazinan-2-one?
The canonical SMILES for 6-(3-aminophenyl)-3-methyl-1,3-oxazinan-2-one is CN1CCC(c2cccc(N)c2)OC1=O.
What is the InChIKey of 6-(3-aminophenyl)-3-methyl-1,3-oxazinan-2-one?
The InChIKey is WAUBRMFSZKGQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-13-6-5-10(15-11(13)14)8-3-2-4-9(12)7-8/h2-4,7,10H,5-6,12H2,1H3.
What are the key properties of 6-(3-aminophenyl)-3-methyl-1,3-oxazinan-2-one?
6-(3-aminophenyl)-3-methyl-1,3-oxazinan-2-one has a molecular weight of 206.25 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminophenyl)-3-methyl-1,3-oxazinan-2-one is sourced from PubChem (CID 83882816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).