(2E)-2-[(4-aminophenyl)methylidene]-1-benzofuran-3-one

C15H11NO2 — CID 177443194

IUPAC(2E)-2-[(4-aminophenyl)methylidene]-1-benzofuran-3-one
SMILESNc1ccc(/C=C2/Oc3ccccc3C2=O)cc1
InChIInChI=1S/C15H11NO2/c16-11-7-5-10(6-8-11)9-14-15(17)12-3-1-2-4-13(12)18-14/h1-9H,16H2/b14-9+
InChIKeyUVRXPGVBLDPJCG-NTEUORMPSA-N
MW237.26 g/mol
LogP2.88
Rot. Bonds1

About (2E)-2-[(4-aminophenyl)methylidene]-1-benzofuran-3-one

(2E)-2-[(4-aminophenyl)methylidene]-1-benzofuran-3-one (PubChem CID 177443194) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is (2E)-2-[(4-aminophenyl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2E)-2-[(4-aminophenyl)methylidene]-1-benzofuran-3-one
PubChem CID177443194
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name(2E)-2-[(4-aminophenyl)methylidene]-1-benzofuran-3-one
SMILESNc1ccc(/C=C2/Oc3ccccc3C2=O)cc1
InChIInChI=1S/C15H11NO2/c16-11-7-5-10(6-8-11)9-14-15(17)12-3-1-2-4-13(12)18-14/h1-9H,16H2/b14-9+
InChIKeyUVRXPGVBLDPJCG-NTEUORMPSA-N
XLogP2.88
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-[(4-chlorophenyl)methylidene]-1-benzofuran-3-one
CID 24762442
2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 619835
(2E)-2-[(4-aminophenyl)methylidene]-5-iodo-1-benzofuran-3-one
CID 177399745
(2E)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one
CID 127256784
(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-benzofuran-3-one
CID 14547034
CID 53380131
CID 53380131
2-hydroxy-5-[(E)-(3-oxo-1-benzofuran-2-ylidene)methyl]benzoic acid
CID 6447057
8-benzylidene-7-oxabicyclo[4.2.0]octa-1,3,5-triene
CID 70426487
(2Z)-2-[[4-[4-methyl-2-[[4-[(Z)-(3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]methyl]pentoxy]phenyl]methylidene]-1-benzofuran-3-one
CID 127030629
(2Z)-2-(isoquinolin-6-ylmethylidene)-1-benzofuran-3-one;hydrochloride
CID 166234458
henicosa-1,3,5,7,9,11,13,15,17,19-decayne;molecular hydrogen;molecular oxygen;(2Z)-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one
CID 159397250
(2E)-2-[(9-ethylcarbazol-3-yl)methylidene]-1-benzofuran-3-one
CID 58621794

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4-aminophenyl)methylidene]-1-benzofuran-3-one?
The IUPAC name of (2E)-2-[(4-aminophenyl)methylidene]-1-benzofuran-3-one (CID 177443194) is (2E)-2-[(4-aminophenyl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2E)-2-[(4-aminophenyl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2E)-2-[(4-aminophenyl)methylidene]-1-benzofuran-3-one is Nc1ccc(/C=C2/Oc3ccccc3C2=O)cc1.
What is the InChIKey of (2E)-2-[(4-aminophenyl)methylidene]-1-benzofuran-3-one?
The InChIKey is UVRXPGVBLDPJCG-NTEUORMPSA-N. The full InChI is InChI=1S/C15H11NO2/c16-11-7-5-10(6-8-11)9-14-15(17)12-3-1-2-4-13(12)18-14/h1-9H,16H2/b14-9+.
What are the key properties of (2E)-2-[(4-aminophenyl)methylidene]-1-benzofuran-3-one?
(2E)-2-[(4-aminophenyl)methylidene]-1-benzofuran-3-one has a molecular weight of 237.26 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-aminophenyl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 177443194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).