5-hydroxy-2-[morpholin-4-yl(phenyl)methylidene]-3H-inden-1-one

C20H19NO3 — CID 175238804

IUPAC5-hydroxy-2-[morpholin-4-yl(phenyl)methylidene]-3H-inden-1-one
SMILESO=C1C(=C(c2ccccc2)N2CCOCC2)Cc2cc(O)ccc21
InChIInChI=1S/C20H19NO3/c22-16-6-7-17-15(12-16)13-18(20(17)23)19(14-4-2-1-3-5-14)21-8-10-24-11-9-21/h1-7,12,22H,8-11,13H2
InChIKeyVFIATNHNBLKUEB-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.87
Rot. Bonds2

About 5-hydroxy-2-[morpholin-4-yl(phenyl)methylidene]-3H-inden-1-one

5-hydroxy-2-[morpholin-4-yl(phenyl)methylidene]-3H-inden-1-one (PubChem CID 175238804) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-hydroxy-2-[morpholin-4-yl(phenyl)methylidene]-3H-inden-1-one.

Molecular Properties

Compound Name5-hydroxy-2-[morpholin-4-yl(phenyl)methylidene]-3H-inden-1-one
PubChem CID175238804
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name5-hydroxy-2-[morpholin-4-yl(phenyl)methylidene]-3H-inden-1-one
SMILESO=C1C(=C(c2ccccc2)N2CCOCC2)Cc2cc(O)ccc21
InChIInChI=1S/C20H19NO3/c22-16-6-7-17-15(12-16)13-18(20(17)23)19(14-4-2-1-3-5-14)21-8-10-24-11-9-21/h1-7,12,22H,8-11,13H2
InChIKeyVFIATNHNBLKUEB-UHFFFAOYSA-N
XLogP2.87
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[morpholin-4-yl(phenyl)methylidene]-3H-inden-1-one?
The IUPAC name of 5-hydroxy-2-[morpholin-4-yl(phenyl)methylidene]-3H-inden-1-one (CID 175238804) is 5-hydroxy-2-[morpholin-4-yl(phenyl)methylidene]-3H-inden-1-one.
What is the SMILES notation for 5-hydroxy-2-[morpholin-4-yl(phenyl)methylidene]-3H-inden-1-one?
The canonical SMILES for 5-hydroxy-2-[morpholin-4-yl(phenyl)methylidene]-3H-inden-1-one is O=C1C(=C(c2ccccc2)N2CCOCC2)Cc2cc(O)ccc21.
What is the InChIKey of 5-hydroxy-2-[morpholin-4-yl(phenyl)methylidene]-3H-inden-1-one?
The InChIKey is VFIATNHNBLKUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c22-16-6-7-17-15(12-16)13-18(20(17)23)19(14-4-2-1-3-5-14)21-8-10-24-11-9-21/h1-7,12,22H,8-11,13H2.
What are the key properties of 5-hydroxy-2-[morpholin-4-yl(phenyl)methylidene]-3H-inden-1-one?
5-hydroxy-2-[morpholin-4-yl(phenyl)methylidene]-3H-inden-1-one has a molecular weight of 321.38 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[morpholin-4-yl(phenyl)methylidene]-3H-inden-1-one is sourced from PubChem (CID 175238804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).