4-[4-(hydroxymethylamino)phenyl]morpholin-3-one

C11H14N2O3 — CID 70327805

IUPAC4-[4-(hydroxymethylamino)phenyl]morpholin-3-one
SMILESO=C1COCCN1c1ccc(NCO)cc1
InChIInChI=1S/C11H14N2O3/c14-8-12-9-1-3-10(4-2-9)13-5-6-16-7-11(13)15/h1-4,12,14H,5-8H2
InChIKeyHXDYUAMILDEOHT-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.41
Rot. Bonds3

About 4-[4-(hydroxymethylamino)phenyl]morpholin-3-one

4-[4-(hydroxymethylamino)phenyl]morpholin-3-one (PubChem CID 70327805) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 4-[4-(hydroxymethylamino)phenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[4-(hydroxymethylamino)phenyl]morpholin-3-one
PubChem CID70327805
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name4-[4-(hydroxymethylamino)phenyl]morpholin-3-one
SMILESO=C1COCCN1c1ccc(NCO)cc1
InChIInChI=1S/C11H14N2O3/c14-8-12-9-1-3-10(4-2-9)13-5-6-16-7-11(13)15/h1-4,12,14H,5-8H2
InChIKeyHXDYUAMILDEOHT-UHFFFAOYSA-N
XLogP0.41
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-[4-(hydroxymethylamino)phenyl]morpholin-3-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-[4-(3-hydroxypropylamino)phenyl]morpholin-3-one
CID 163448135
4-[4-[[(2S)-2-hydroxybutyl]amino]phenyl]morpholin-3-one
CID 59515485
4-[4-[[(2R)-aziridin-2-yl]methylamino]phenyl]morpholin-3-one
CID 59515495
4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-one;hydrochloride
CID 70873276
4-[4-(propan-2-ylamino)phenyl]morpholin-3-one
CID 70327069
2-cyano-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide
CID 168524282
2-[2-hydroxy-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]isoindole-1,3-dione
CID 174863982
bis[(2R)-1-chloro-3-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl] sulfate
CID 118377688
4-[4-[5-[(hydroxymethylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 122625984
7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 12887277
4-[4-[(2-hydroxy-3-phenylmethoxypropyl)amino]phenyl]morpholin-3-one
CID 123840212
4-(4-ethynylphenyl)morpholin-3-one
CID 119094616

Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxymethylamino)phenyl]morpholin-3-one?
The IUPAC name of 4-[4-(hydroxymethylamino)phenyl]morpholin-3-one (CID 70327805) is 4-[4-(hydroxymethylamino)phenyl]morpholin-3-one.
What is the SMILES notation for 4-[4-(hydroxymethylamino)phenyl]morpholin-3-one?
The canonical SMILES for 4-[4-(hydroxymethylamino)phenyl]morpholin-3-one is O=C1COCCN1c1ccc(NCO)cc1.
What is the InChIKey of 4-[4-(hydroxymethylamino)phenyl]morpholin-3-one?
The InChIKey is HXDYUAMILDEOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-8-12-9-1-3-10(4-2-9)13-5-6-16-7-11(13)15/h1-4,12,14H,5-8H2.
What are the key properties of 4-[4-(hydroxymethylamino)phenyl]morpholin-3-one?
4-[4-(hydroxymethylamino)phenyl]morpholin-3-one has a molecular weight of 222.24 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxymethylamino)phenyl]morpholin-3-one is sourced from PubChem (CID 70327805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).