(3E)-3-[(2-methoxyphenyl)methylidene]-1H-indol-2-one

C16H13NO2 — CID 672250

IUPAC(3E)-3-[(2-methoxyphenyl)methylidene]-1H-indol-2-one
SMILESCOc1ccccc1/C=C1/C(=O)Nc2ccccc21
InChIInChI=1S/C16H13NO2/c1-19-15-9-5-2-6-11(15)10-13-12-7-3-4-8-14(12)17-16(13)18/h2-10H,1H3,(H,17,18)/b13-10+
InChIKeyNEQZEVOPIKSAJP-JLHYYAGUSA-N
MW251.28 g/mol
LogP3.19
Rot. Bonds2

About (3E)-3-[(2-methoxyphenyl)methylidene]-1H-indol-2-one

(3E)-3-[(2-methoxyphenyl)methylidene]-1H-indol-2-one (PubChem CID 672250) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is (3E)-3-[(2-methoxyphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(2-methoxyphenyl)methylidene]-1H-indol-2-one
PubChem CID672250
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name(3E)-3-[(2-methoxyphenyl)methylidene]-1H-indol-2-one
SMILESCOc1ccccc1/C=C1/C(=O)Nc2ccccc21
InChIInChI=1S/C16H13NO2/c1-19-15-9-5-2-6-11(15)10-13-12-7-3-4-8-14(12)17-16(13)18/h2-10H,1H3,(H,17,18)/b13-10+
InChIKeyNEQZEVOPIKSAJP-JLHYYAGUSA-N
XLogP3.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Benzenepropanamide, N-(2-methoxyphenyl)-beta-oxo-
CID 7079
IC261
CID 5288600
N-(4-methoxyphenyl)-4-methylbenzamide
CID 531829
2-(4-Methoxyphenyl)-1H-isoindole-1,3(2H)-dione
CID 250687
N-(4-Methoxyphenyl)benzoic acid amide
CID 139031
3-(2-Methoxy-benzylidene)-3H-indol-2-ol
CID 672251
4-(4-methoxyphenyl)-1H-quinolin-2-one
CID 672272
2-(4-Methoxy-phenyl)-2,3-dihydro-isoindol-1-one
CID 829359
1,2-Benzisoselenazol-3(2H)-one, 2-(4-methoxyphenyl)-
CID 3067568
2'-Methoxy-2-phenylacetanilide
CID 258229
2-Fluoro-N-(4-methoxyphenyl)benzamide
CID 579408
3-[(2,4,6-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 3674

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(2-methoxyphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-3-[(2-methoxyphenyl)methylidene]-1H-indol-2-one (CID 672250) is (3E)-3-[(2-methoxyphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(2-methoxyphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(2-methoxyphenyl)methylidene]-1H-indol-2-one is COc1ccccc1/C=C1/C(=O)Nc2ccccc21.
What is the InChIKey of (3E)-3-[(2-methoxyphenyl)methylidene]-1H-indol-2-one?
The InChIKey is NEQZEVOPIKSAJP-JLHYYAGUSA-N. The full InChI is InChI=1S/C16H13NO2/c1-19-15-9-5-2-6-11(15)10-13-12-7-3-4-8-14(12)17-16(13)18/h2-10H,1H3,(H,17,18)/b13-10+.
What are the key properties of (3E)-3-[(2-methoxyphenyl)methylidene]-1H-indol-2-one?
(3E)-3-[(2-methoxyphenyl)methylidene]-1H-indol-2-one has a molecular weight of 251.28 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2-methoxyphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 672250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).