3-[morpholin-4-yl(phenyl)methylidene]-2-benzofuran-1-one

C19H17NO3 — CID 54204273

IUPAC3-[morpholin-4-yl(phenyl)methylidene]-2-benzofuran-1-one
SMILESO=C1OC(=C(c2ccccc2)N2CCOCC2)c2ccccc21
InChIInChI=1S/C19H17NO3/c21-19-16-9-5-4-8-15(16)18(23-19)17(14-6-2-1-3-7-14)20-10-12-22-13-11-20/h1-9H,10-13H2
InChIKeyPRKFGWASMIZOBY-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.02
Rot. Bonds2

About 3-[morpholin-4-yl(phenyl)methylidene]-2-benzofuran-1-one

3-[morpholin-4-yl(phenyl)methylidene]-2-benzofuran-1-one (PubChem CID 54204273) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-[morpholin-4-yl(phenyl)methylidene]-2-benzofuran-1-one.

Molecular Properties

Compound Name3-[morpholin-4-yl(phenyl)methylidene]-2-benzofuran-1-one
PubChem CID54204273
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name3-[morpholin-4-yl(phenyl)methylidene]-2-benzofuran-1-one
SMILESO=C1OC(=C(c2ccccc2)N2CCOCC2)c2ccccc21
InChIInChI=1S/C19H17NO3/c21-19-16-9-5-4-8-15(16)18(23-19)17(14-6-2-1-3-7-14)20-10-12-22-13-11-20/h1-9H,10-13H2
InChIKeyPRKFGWASMIZOBY-UHFFFAOYSA-N
XLogP3.02
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-2-[morpholin-4-yl(phenyl)methylidene]-3H-inden-1-one
CID 175238804
(5-benzoyl-1,4,5-oxadiazepan-4-yl)-phenylmethanone
CID 12845384
2-benzofuran-1,3-dione;oxolane
CID 158210256
bis(2,5-diphenylbenzene-1,4-diol);bis(1-morpholin-4-yl-2-phenylethane-1,2-dione)
CID 139194609
(2Z,3Z)-2,3-bis(hydroxyimino)-3-morpholin-4-yl-1-phenylpropan-1-one
CID 137153092
4-[(E)-2-nitroso-1,2-diphenylethenyl]morpholine
CID 3003847
2,2-dibromo-1-morpholin-4-yl-3-phenylpropane-1,3-dione
CID 569666
2-[2-(morpholine-4-carbonyl)phenyl]isoindole-1,3-dione
CID 4933006
4-[(E)-2-nitroso-1,2-diphenylethenyl]morpholine;hydrochloride
CID 54603340
4-benzoylmorpholine-2,6-dione
CID 53273549
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
4-benzoyl-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide
CID 91667388

Frequently Asked Questions

What is the IUPAC name of 3-[morpholin-4-yl(phenyl)methylidene]-2-benzofuran-1-one?
The IUPAC name of 3-[morpholin-4-yl(phenyl)methylidene]-2-benzofuran-1-one (CID 54204273) is 3-[morpholin-4-yl(phenyl)methylidene]-2-benzofuran-1-one.
What is the SMILES notation for 3-[morpholin-4-yl(phenyl)methylidene]-2-benzofuran-1-one?
The canonical SMILES for 3-[morpholin-4-yl(phenyl)methylidene]-2-benzofuran-1-one is O=C1OC(=C(c2ccccc2)N2CCOCC2)c2ccccc21.
What is the InChIKey of 3-[morpholin-4-yl(phenyl)methylidene]-2-benzofuran-1-one?
The InChIKey is PRKFGWASMIZOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c21-19-16-9-5-4-8-15(16)18(23-19)17(14-6-2-1-3-7-14)20-10-12-22-13-11-20/h1-9H,10-13H2.
What are the key properties of 3-[morpholin-4-yl(phenyl)methylidene]-2-benzofuran-1-one?
3-[morpholin-4-yl(phenyl)methylidene]-2-benzofuran-1-one has a molecular weight of 307.35 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[morpholin-4-yl(phenyl)methylidene]-2-benzofuran-1-one is sourced from PubChem (CID 54204273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).