4-(4-aminophenyl)morpholin-2-one;dihydrochloride

C10H14Cl2N2O2 — CID 155858557

IUPAC4-(4-aminophenyl)morpholin-2-one;dihydrochloride
SMILESCl.Cl.Nc1ccc(N2CCOC(=O)C2)cc1
InChIInChI=1S/C10H12N2O2.2ClH/c11-8-1-3-9(4-2-8)12-5-6-14-10(13)7-12;;/h1-4H,5-7,11H2;2*1H
InChIKeyGYEONWQZPJGHAU-UHFFFAOYSA-N
MW265.14 g/mol
LogP1.48
Rot. Bonds1

About 4-(4-aminophenyl)morpholin-2-one;dihydrochloride

4-(4-aminophenyl)morpholin-2-one;dihydrochloride (PubChem CID 155858557) has the molecular formula C10H14Cl2N2O2 and a molecular weight of 265.14 g/mol. Its IUPAC name is 4-(4-aminophenyl)morpholin-2-one;dihydrochloride.

Molecular Properties

Compound Name4-(4-aminophenyl)morpholin-2-one;dihydrochloride
PubChem CID155858557
Molecular FormulaC10H14Cl2N2O2
Molecular Weight265.14 g/mol
Exact Mass264.04
IUPAC Name4-(4-aminophenyl)morpholin-2-one;dihydrochloride
SMILESCl.Cl.Nc1ccc(N2CCOC(=O)C2)cc1
InChIInChI=1S/C10H12N2O2.2ClH/c11-8-1-3-9(4-2-8)12-5-6-14-10(13)7-12;;/h1-4H,5-7,11H2;2*1H
InChIKeyGYEONWQZPJGHAU-UHFFFAOYSA-N
XLogP1.48
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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-2-one;dihydrochloride?
The IUPAC name of 4-(4-aminophenyl)morpholin-2-one;dihydrochloride (CID 155858557) is 4-(4-aminophenyl)morpholin-2-one;dihydrochloride.
What is the SMILES notation for 4-(4-aminophenyl)morpholin-2-one;dihydrochloride?
The canonical SMILES for 4-(4-aminophenyl)morpholin-2-one;dihydrochloride is Cl.Cl.Nc1ccc(N2CCOC(=O)C2)cc1.
What is the InChIKey of 4-(4-aminophenyl)morpholin-2-one;dihydrochloride?
The InChIKey is GYEONWQZPJGHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2.2ClH/c11-8-1-3-9(4-2-8)12-5-6-14-10(13)7-12;;/h1-4H,5-7,11H2;2*1H.
What are the key properties of 4-(4-aminophenyl)morpholin-2-one;dihydrochloride?
4-(4-aminophenyl)morpholin-2-one;dihydrochloride has a molecular weight of 265.14 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)morpholin-2-one;dihydrochloride is sourced from PubChem (CID 155858557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).