3-hydroxy-2-(2-morpholin-4-ylethyliminomethyl)-5-phenylcyclohex-2-en-1-one

C19H24N2O3 — CID 135399196

IUPAC3-hydroxy-2-(2-morpholin-4-ylethyliminomethyl)-5-phenylcyclohex-2-en-1-one
SMILESO=C1CC(c2ccccc2)CC(O)=C1/C=N/CCN1CCOCC1
InChIInChI=1S/C19H24N2O3/c22-18-12-16(15-4-2-1-3-5-15)13-19(23)17(18)14-20-6-7-21-8-10-24-11-9-21/h1-5,14,16,22H,6-13H2/b20-14+
InChIKeySDGRPEITBOQGJE-XSFVSMFZSA-N
MW328.41 g/mol
LogP2.35
Rot. Bonds5

About 3-hydroxy-2-(2-morpholin-4-ylethyliminomethyl)-5-phenylcyclohex-2-en-1-one

3-hydroxy-2-(2-morpholin-4-ylethyliminomethyl)-5-phenylcyclohex-2-en-1-one (PubChem CID 135399196) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-hydroxy-2-(2-morpholin-4-ylethyliminomethyl)-5-phenylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-hydroxy-2-(2-morpholin-4-ylethyliminomethyl)-5-phenylcyclohex-2-en-1-one
PubChem CID135399196
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name3-hydroxy-2-(2-morpholin-4-ylethyliminomethyl)-5-phenylcyclohex-2-en-1-one
SMILESO=C1CC(c2ccccc2)CC(O)=C1/C=N/CCN1CCOCC1
InChIInChI=1S/C19H24N2O3/c22-18-12-16(15-4-2-1-3-5-15)13-19(23)17(18)14-20-6-7-21-8-10-24-11-9-21/h1-5,14,16,22H,6-13H2/b20-14+
InChIKeySDGRPEITBOQGJE-XSFVSMFZSA-N
XLogP2.35
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-Phenyl-2-{[(tetrahydro-2-furanylmethyl)amino]methylene}-1,3-cyclohexanedione
CID 135411447
5-Phenyl-2-{[(2-piperazin-1-ylethyl)amino]methylene}cyclohexane-1,3-dione
CID 135418632
5-(4-Fluorophenyl)-2-{[(2-piperazin-1-ylethyl)-amino]methylene}cyclohexane-1,3-dione
CID 135473390
2-({[1-(Hydroxymethyl)propyl]amino}methylene)-5-phenyl-1,3-cyclohexanedione
CID 135403704
2-[(3-Methoxypropylamino)methylidene]-5-phenylcyclohexane-1,3-dione
CID 135475155
2-{[(3-Hydroxypropyl)amino]methylene}-5-phenyl-1,3-cyclohexanedione
CID 135438785
2-({[3-(Morpholin-4-yl)propyl]amino}methylidene)-5-phenylcyclohexane-1,3-dione
CID 135452349
2-({[2-(4-Benzylpiperazin-1-yl)ethyl]amino}methylidene)-5-phenylcyclohexane-1,3-dione
CID 135538818
5-(4-Methylphenyl)-2-[(2-piperazin-1-ylethylamino)methylidene]cyclohexane-1,3-dione
CID 135403263
2-[2-(Dimethylamino)ethyliminomethyl]-5-(2-fluorophenyl)-3-hydroxycyclohex-2-en-1-one
CID 146459544
2-[2-(Dimethylamino)ethyliminomethyl]-5-(3-fluorophenyl)-3-hydroxycyclohex-2-en-1-one
CID 146459601
2-[2-(Dimethylamino)ethyliminomethyl]-3-hydroxy-5-phenylcyclohex-2-en-1-one
CID 146459603

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(2-morpholin-4-ylethyliminomethyl)-5-phenylcyclohex-2-en-1-one?
The IUPAC name of 3-hydroxy-2-(2-morpholin-4-ylethyliminomethyl)-5-phenylcyclohex-2-en-1-one (CID 135399196) is 3-hydroxy-2-(2-morpholin-4-ylethyliminomethyl)-5-phenylcyclohex-2-en-1-one.
What is the SMILES notation for 3-hydroxy-2-(2-morpholin-4-ylethyliminomethyl)-5-phenylcyclohex-2-en-1-one?
The canonical SMILES for 3-hydroxy-2-(2-morpholin-4-ylethyliminomethyl)-5-phenylcyclohex-2-en-1-one is O=C1CC(c2ccccc2)CC(O)=C1/C=N/CCN1CCOCC1.
What is the InChIKey of 3-hydroxy-2-(2-morpholin-4-ylethyliminomethyl)-5-phenylcyclohex-2-en-1-one?
The InChIKey is SDGRPEITBOQGJE-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H24N2O3/c22-18-12-16(15-4-2-1-3-5-15)13-19(23)17(18)14-20-6-7-21-8-10-24-11-9-21/h1-5,14,16,22H,6-13H2/b20-14+.
What are the key properties of 3-hydroxy-2-(2-morpholin-4-ylethyliminomethyl)-5-phenylcyclohex-2-en-1-one?
3-hydroxy-2-(2-morpholin-4-ylethyliminomethyl)-5-phenylcyclohex-2-en-1-one has a molecular weight of 328.41 g/mol, XLogP of 2.35, 5 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)-5-phenylcyclohex-2-en-1-one is sourced from PubChem (CID 135399196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).