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

C11H14N2O2 — CID 105458794

IUPAC3-(3-aminophenyl)-6-methyl-1,3-oxazinan-2-one
SMILESCC1CCN(c2cccc(N)c2)C(=O)O1
InChIInChI=1S/C11H14N2O2/c1-8-5-6-13(11(14)15-8)10-4-2-3-9(12)7-10/h2-4,7-8H,5-6,12H2,1H3
InChIKeyCYJFRVTYPFVTRT-UHFFFAOYSA-N
MW206.25 g/mol
LogP2.00
Rot. Bonds1

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

3-(3-aminophenyl)-6-methyl-1,3-oxazinan-2-one (PubChem CID 105458794) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-(3-aminophenyl)-6-methyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-(3-aminophenyl)-6-methyl-1,3-oxazinan-2-one
PubChem CID105458794
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name3-(3-aminophenyl)-6-methyl-1,3-oxazinan-2-one
SMILESCC1CCN(c2cccc(N)c2)C(=O)O1
InChIInChI=1S/C11H14N2O2/c1-8-5-6-13(11(14)15-8)10-4-2-3-9(12)7-10/h2-4,7-8H,5-6,12H2,1H3
InChIKeyCYJFRVTYPFVTRT-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R)-3-(3-aminophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 67217943
3-[3-(aminomethyl)phenyl]-5-methyl-1,3-oxazolidin-2-one
CID 105458801
3-[2-(aminomethyl)phenyl]-6-methyl-1,3-oxazinan-2-one
CID 105475751
6-(3-aminophenyl)-3-methyl-1,3-oxazinan-2-one
CID 83882816
(5R)-3-(4-aminophenyl)-5-methyl-1,3-oxazolidin-2-one
CID 59742698
3-(3-fluorophenyl)-2-oxo-1,3-oxazinane-6-carbonitrile
CID 117010511
3-(4-propan-2-ylpiperidin-1-yl)aniline
CID 103505094
3-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]aniline
CID 103134978
1-(3-aminophenyl)-4-(4-bromophenyl)imidazolidin-2-one
CID 116979206
3-(3-aminophenyl)-6-oxa-3-azabicyclo[3.1.1]heptan-2-one
CID 84777806
1-(3-aminophenyl)piperazine-2,5-dione
CID 82512416
1-(3-aminophenyl)-4-ethylpiperazin-2-one
CID 67479009

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-6-methyl-1,3-oxazinan-2-one?
The IUPAC name of 3-(3-aminophenyl)-6-methyl-1,3-oxazinan-2-one (CID 105458794) is 3-(3-aminophenyl)-6-methyl-1,3-oxazinan-2-one.
What is the SMILES notation for 3-(3-aminophenyl)-6-methyl-1,3-oxazinan-2-one?
The canonical SMILES for 3-(3-aminophenyl)-6-methyl-1,3-oxazinan-2-one is CC1CCN(c2cccc(N)c2)C(=O)O1.
What is the InChIKey of 3-(3-aminophenyl)-6-methyl-1,3-oxazinan-2-one?
The InChIKey is CYJFRVTYPFVTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8-5-6-13(11(14)15-8)10-4-2-3-9(12)7-10/h2-4,7-8H,5-6,12H2,1H3.
What are the key properties of 3-(3-aminophenyl)-6-methyl-1,3-oxazinan-2-one?
3-(3-aminophenyl)-6-methyl-1,3-oxazinan-2-one has a molecular weight of 206.25 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-6-methyl-1,3-oxazinan-2-one is sourced from PubChem (CID 105458794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).