3-hydroxy-2-(2-morpholin-4-ylethyliminomethyl)inden-1-one

C16H18N2O3 — CID 135417382

IUPAC3-hydroxy-2-(2-morpholin-4-ylethyliminomethyl)inden-1-one
SMILESO=C1C(/C=N/CCN2CCOCC2)=C(O)c2ccccc21
InChIInChI=1S/C16H18N2O3/c19-15-12-3-1-2-4-13(12)16(20)14(15)11-17-5-6-18-7-9-21-10-8-18/h1-4,11,19H,5-10H2/b17-11+
InChIKeyPHJKZVXWGTUNPK-GZTJUZNOSA-N
MW286.33 g/mol
LogP1.55
Rot. Bonds4

About 3-hydroxy-2-(2-morpholin-4-ylethyliminomethyl)inden-1-one

3-hydroxy-2-(2-morpholin-4-ylethyliminomethyl)inden-1-one (PubChem CID 135417382) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-hydroxy-2-(2-morpholin-4-ylethyliminomethyl)inden-1-one.

Molecular Properties

Compound Name3-hydroxy-2-(2-morpholin-4-ylethyliminomethyl)inden-1-one
PubChem CID135417382
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-hydroxy-2-(2-morpholin-4-ylethyliminomethyl)inden-1-one
SMILESO=C1C(/C=N/CCN2CCOCC2)=C(O)c2ccccc21
InChIInChI=1S/C16H18N2O3/c19-15-12-3-1-2-4-13(12)16(20)14(15)11-17-5-6-18-7-9-21-10-8-18/h1-4,11,19H,5-10H2/b17-11+
InChIKeyPHJKZVXWGTUNPK-GZTJUZNOSA-N
XLogP1.55
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-hydroxy-2-(2-morpholin-4-ylethyliminomethyl)inden-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(2-morpholin-4-ylethyliminomethyl)inden-1-one?
The IUPAC name of 3-hydroxy-2-(2-morpholin-4-ylethyliminomethyl)inden-1-one (CID 135417382) is 3-hydroxy-2-(2-morpholin-4-ylethyliminomethyl)inden-1-one.
What is the SMILES notation for 3-hydroxy-2-(2-morpholin-4-ylethyliminomethyl)inden-1-one?
The canonical SMILES for 3-hydroxy-2-(2-morpholin-4-ylethyliminomethyl)inden-1-one is O=C1C(/C=N/CCN2CCOCC2)=C(O)c2ccccc21.
What is the InChIKey of 3-hydroxy-2-(2-morpholin-4-ylethyliminomethyl)inden-1-one?
The InChIKey is PHJKZVXWGTUNPK-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-15-12-3-1-2-4-13(12)16(20)14(15)11-17-5-6-18-7-9-21-10-8-18/h1-4,11,19H,5-10H2/b17-11+.
What are the key properties of 3-hydroxy-2-(2-morpholin-4-ylethyliminomethyl)inden-1-one?
3-hydroxy-2-(2-morpholin-4-ylethyliminomethyl)inden-1-one has a molecular weight of 286.33 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(2-morpholin-4-ylethyliminomethyl)inden-1-one is sourced from PubChem (CID 135417382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).