4-(2-aminophenyl)morpholine-3,5-dione

C10H10N2O3 — CID 61326987

IUPAC4-(2-aminophenyl)morpholine-3,5-dione
SMILESNc1ccccc1N1C(=O)COCC1=O
InChIInChI=1S/C10H10N2O3/c11-7-3-1-2-4-8(7)12-9(13)5-15-6-10(12)14/h1-4H,5-6,11H2
InChIKeyUNMVRGWXDZIYBS-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.16
Rot. Bonds1

About 4-(2-aminophenyl)morpholine-3,5-dione

4-(2-aminophenyl)morpholine-3,5-dione (PubChem CID 61326987) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 4-(2-aminophenyl)morpholine-3,5-dione.

Molecular Properties

Compound Name4-(2-aminophenyl)morpholine-3,5-dione
PubChem CID61326987
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name4-(2-aminophenyl)morpholine-3,5-dione
SMILESNc1ccccc1N1C(=O)COCC1=O
InChIInChI=1S/C10H10N2O3/c11-7-3-1-2-4-8(7)12-9(13)5-15-6-10(12)14/h1-4H,5-6,11H2
InChIKeyUNMVRGWXDZIYBS-UHFFFAOYSA-N
XLogP0.16
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminophenyl)azepane-2,7-dione
CID 43446671
2-(2-aminophenyl)isoindole-1,3-dione;hydrate
CID 45045681
4-(3-bromo-2-methylphenyl)morpholine-3,5-dione
CID 107640888
4-[2-(ethylaminomethyl)phenyl]morpholine-3,5-dione
CID 61350180
3-[2-(3,5-dioxomorpholin-4-yl)phenyl]propanoic acid
CID 107272642
1-(2-aminophenyl)imidazolidine-2,4-dione
CID 83818017
(5R)-3-(2-aminophenyl)-5-methylimidazolidine-2,4-dione
CID 51983917
4-[(3-amino-2-methylphenyl)methyl]morpholine-3,5-dione
CID 61311743
4-(2-bromo-4-methylphenyl)morpholine-3,5-dione
CID 60975341
(7aR)-2-(2-aminophenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 99975137
6-(2-aminophenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 126549663
5-bromo-2-(3,5-dioxomorpholin-4-yl)benzenecarbothioamide
CID 82704423

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenyl)morpholine-3,5-dione?
The IUPAC name of 4-(2-aminophenyl)morpholine-3,5-dione (CID 61326987) is 4-(2-aminophenyl)morpholine-3,5-dione.
What is the SMILES notation for 4-(2-aminophenyl)morpholine-3,5-dione?
The canonical SMILES for 4-(2-aminophenyl)morpholine-3,5-dione is Nc1ccccc1N1C(=O)COCC1=O.
What is the InChIKey of 4-(2-aminophenyl)morpholine-3,5-dione?
The InChIKey is UNMVRGWXDZIYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c11-7-3-1-2-4-8(7)12-9(13)5-15-6-10(12)14/h1-4H,5-6,11H2.
What are the key properties of 4-(2-aminophenyl)morpholine-3,5-dione?
4-(2-aminophenyl)morpholine-3,5-dione has a molecular weight of 206.20 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenyl)morpholine-3,5-dione is sourced from PubChem (CID 61326987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).