4-(4-aminophenyl)morpholin-3-one

C10H12N2O2 — CID 11194854

IUPAC4-(4-aminophenyl)morpholin-3-one
SMILESNc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C10H12N2O2/c11-8-1-3-9(4-2-8)12-5-6-14-7-10(12)13/h1-4H,5-7,11H2
InChIKeyMHCRLDZZHOVFEE-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.63
Rot. Bonds1

About 4-(4-aminophenyl)morpholin-3-one

4-(4-aminophenyl)morpholin-3-one (PubChem CID 11194854) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 4-(4-aminophenyl)morpholin-3-one.

Molecular Properties

Compound Name4-(4-aminophenyl)morpholin-3-one
PubChem CID11194854
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name4-(4-aminophenyl)morpholin-3-one
SMILESNc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C10H12N2O2/c11-8-1-3-9(4-2-8)12-5-6-14-7-10(12)13/h1-4H,5-7,11H2
InChIKeyMHCRLDZZHOVFEE-UHFFFAOYSA-N
XLogP0.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)morpholin-3-one?
The IUPAC name of 4-(4-aminophenyl)morpholin-3-one (CID 11194854) is 4-(4-aminophenyl)morpholin-3-one.
What is the SMILES notation for 4-(4-aminophenyl)morpholin-3-one?
The canonical SMILES for 4-(4-aminophenyl)morpholin-3-one is Nc1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of 4-(4-aminophenyl)morpholin-3-one?
The InChIKey is MHCRLDZZHOVFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-8-1-3-9(4-2-8)12-5-6-14-7-10(12)13/h1-4H,5-7,11H2.
What are the key properties of 4-(4-aminophenyl)morpholin-3-one?
4-(4-aminophenyl)morpholin-3-one has a molecular weight of 192.22 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)morpholin-3-one is sourced from PubChem (CID 11194854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).