(3E)-3-[(2,5-dimethoxyphenyl)methylidene]-1H-indol-2-one

C17H15NO3 — CID 727459

IUPAC(3E)-3-[(2,5-dimethoxyphenyl)methylidene]-1H-indol-2-one
SMILESCOc1ccc(OC)c(/C=C2/C(=O)Nc3ccccc32)c1
InChIInChI=1S/C17H15NO3/c1-20-12-7-8-16(21-2)11(9-12)10-14-13-5-3-4-6-15(13)18-17(14)19/h3-10H,1-2H3,(H,18,19)/b14-10+
InChIKeyDKGBVFRNIOJEKA-GXDHUFHOSA-N
MW281.31 g/mol
LogP3.20
Rot. Bonds3

About (3E)-3-[(2,5-dimethoxyphenyl)methylidene]-1H-indol-2-one

(3E)-3-[(2,5-dimethoxyphenyl)methylidene]-1H-indol-2-one (PubChem CID 727459) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is (3E)-3-[(2,5-dimethoxyphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(2,5-dimethoxyphenyl)methylidene]-1H-indol-2-one
PubChem CID727459
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name(3E)-3-[(2,5-dimethoxyphenyl)methylidene]-1H-indol-2-one
SMILESCOc1ccc(OC)c(/C=C2/C(=O)Nc3ccccc32)c1
InChIInChI=1S/C17H15NO3/c1-20-12-7-8-16(21-2)11(9-12)10-14-13-5-3-4-6-15(13)18-17(14)19/h3-10H,1-2H3,(H,18,19)/b14-10+
InChIKeyDKGBVFRNIOJEKA-GXDHUFHOSA-N
XLogP3.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

IC261
CID 5288600
3-(2-Methoxy-benzylidene)-3H-indol-2-ol
CID 672251
3-[(2,4,6-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 3674
(3Z)-3-[(2,4,6-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 5353678
(E)-4-chloro-3-(2-(2-methoxyphenyl)-2-oxoethylidene)indolin-2-one
CID 54584758
(3E)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one
CID 947879
5-methoxy-3-phenyl-1H-quinolin-2-one
CID 1485674
3-Hydroxy-3-(3-methoxyphenyl)indolin-2-one
CID 5297648
3-[4-(trifluoromethoxy)benzyl]-1,3-dihydro-2H-indol-2-one
CID 16413179
(3E)-3-[(2,4-dimethoxyphenyl)methylidene]-1H-indol-2-one
CID 722626
3-methoxy-N-(4-methylphenyl)benzamide
CID 827641
3-methoxy-N-phenylbenzamide
CID 835330

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(2,5-dimethoxyphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-3-[(2,5-dimethoxyphenyl)methylidene]-1H-indol-2-one (CID 727459) is (3E)-3-[(2,5-dimethoxyphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(2,5-dimethoxyphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(2,5-dimethoxyphenyl)methylidene]-1H-indol-2-one is COc1ccc(OC)c(/C=C2/C(=O)Nc3ccccc32)c1.
What is the InChIKey of (3E)-3-[(2,5-dimethoxyphenyl)methylidene]-1H-indol-2-one?
The InChIKey is DKGBVFRNIOJEKA-GXDHUFHOSA-N. The full InChI is InChI=1S/C17H15NO3/c1-20-12-7-8-16(21-2)11(9-12)10-14-13-5-3-4-6-15(13)18-17(14)19/h3-10H,1-2H3,(H,18,19)/b14-10+.
What are the key properties of (3E)-3-[(2,5-dimethoxyphenyl)methylidene]-1H-indol-2-one?
(3E)-3-[(2,5-dimethoxyphenyl)methylidene]-1H-indol-2-one has a molecular weight of 281.31 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2,5-dimethoxyphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 727459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).