(2E)-2-[(2-aminophenyl)methylidene]-6-methoxy-1-benzofuran-3-one

C16H13NO3 — CID 177440525

IUPAC(2E)-2-[(2-aminophenyl)methylidene]-6-methoxy-1-benzofuran-3-one
SMILESCOc1ccc2c(c1)O/C(=C/c1ccccc1N)C2=O
InChIInChI=1S/C16H13NO3/c1-19-11-6-7-12-14(9-11)20-15(16(12)18)8-10-4-2-3-5-13(10)17/h2-9H,17H2,1H3/b15-8+
InChIKeyYMRPBPKTEUJNAJ-OVCLIPMQSA-N
MW267.28 g/mol
LogP2.89
Rot. Bonds2

About (2E)-2-[(2-aminophenyl)methylidene]-6-methoxy-1-benzofuran-3-one

(2E)-2-[(2-aminophenyl)methylidene]-6-methoxy-1-benzofuran-3-one (PubChem CID 177440525) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is (2E)-2-[(2-aminophenyl)methylidene]-6-methoxy-1-benzofuran-3-one.

Molecular Properties

Compound Name(2E)-2-[(2-aminophenyl)methylidene]-6-methoxy-1-benzofuran-3-one
PubChem CID177440525
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name(2E)-2-[(2-aminophenyl)methylidene]-6-methoxy-1-benzofuran-3-one
SMILESCOc1ccc2c(c1)O/C(=C/c1ccccc1N)C2=O
InChIInChI=1S/C16H13NO3/c1-19-11-6-7-12-14(9-11)20-15(16(12)18)8-10-4-2-3-5-13(10)17/h2-9H,17H2,1H3/b15-8+
InChIKeyYMRPBPKTEUJNAJ-OVCLIPMQSA-N
XLogP2.89
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(2Z)-6-methoxy-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one
CID 5378595
(2Z)-2-benzylidene-6-methoxy-1-benzofuran-3-one
CID 642380
ethyl 2-[2-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]acetate
CID 7197689
methyl (2S)-2-[2-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]propanoate
CID 7198127
2-[(3,5-dimethoxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 85064486
[2-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] 3,4-dimethoxybenzoate
CID 18836006
[2-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] 2-methylbenzoate
CID 18835885
[2-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] 2-chlorobenzoate
CID 18835966
6-methoxy-2-[(5-methoxy-1H-indol-3-yl)methylidene]-1-benzofuran-3-one
CID 69003793
(2Z)-2-[(1-ethylindol-3-yl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 35494213
[(2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-methoxybenzoate
CID 6315334
2-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 578349

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2-aminophenyl)methylidene]-6-methoxy-1-benzofuran-3-one?
The IUPAC name of (2E)-2-[(2-aminophenyl)methylidene]-6-methoxy-1-benzofuran-3-one (CID 177440525) is (2E)-2-[(2-aminophenyl)methylidene]-6-methoxy-1-benzofuran-3-one.
What is the SMILES notation for (2E)-2-[(2-aminophenyl)methylidene]-6-methoxy-1-benzofuran-3-one?
The canonical SMILES for (2E)-2-[(2-aminophenyl)methylidene]-6-methoxy-1-benzofuran-3-one is COc1ccc2c(c1)O/C(=C/c1ccccc1N)C2=O.
What is the InChIKey of (2E)-2-[(2-aminophenyl)methylidene]-6-methoxy-1-benzofuran-3-one?
The InChIKey is YMRPBPKTEUJNAJ-OVCLIPMQSA-N. The full InChI is InChI=1S/C16H13NO3/c1-19-11-6-7-12-14(9-11)20-15(16(12)18)8-10-4-2-3-5-13(10)17/h2-9H,17H2,1H3/b15-8+.
What are the key properties of (2E)-2-[(2-aminophenyl)methylidene]-6-methoxy-1-benzofuran-3-one?
(2E)-2-[(2-aminophenyl)methylidene]-6-methoxy-1-benzofuran-3-one has a molecular weight of 267.28 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2-aminophenyl)methylidene]-6-methoxy-1-benzofuran-3-one is sourced from PubChem (CID 177440525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).