3-[(4-ethoxyphenyl)methylidene]-1H-indol-2-one

C17H15NO2 — CID 2803146

IUPAC3-[(4-ethoxyphenyl)methylidene]-1H-indol-2-one
SMILESCCOc1ccc(C=C2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H15NO2/c1-2-20-13-9-7-12(8-10-13)11-15-14-5-3-4-6-16(14)18-17(15)19/h3-11H,2H2,1H3,(H,18,19)
InChIKeyHRMBLFNBKLEZKA-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.58
Rot. Bonds3

About 3-[(4-ethoxyphenyl)methylidene]-1H-indol-2-one

3-[(4-ethoxyphenyl)methylidene]-1H-indol-2-one (PubChem CID 2803146) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)methylidene]-1H-indol-2-one
PubChem CID2803146
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name3-[(4-ethoxyphenyl)methylidene]-1H-indol-2-one
SMILESCCOc1ccc(C=C2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H15NO2/c1-2-20-13-9-7-12(8-10-13)11-15-14-5-3-4-6-16(14)18-17(15)19/h3-11H,2H2,1H3,(H,18,19)
InChIKeyHRMBLFNBKLEZKA-UHFFFAOYSA-N
XLogP3.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.58
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

(3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 727515
3-[(4-ethoxyphenyl)methylidene]-5-iodo-1H-indol-2-one
CID 57187568
(3E)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one
CID 17465083
3-[(4-ethoxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one
CID 936230
(3E)-3-[[4-(methoxyamino)phenyl]methylidene]-1H-indol-2-one
CID 134593398
(3Z)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
CID 5398219
3-[[4-[2-(4-bromophenyl)-2-oxoethoxy]phenyl]methylidene]-1H-indol-2-one
CID 166611229
(3Z)-3-[(4-ethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135823201
(3E)-3-[[4-[2-(2-chlorophenoxy)ethoxy]-3-ethoxyphenyl]methylidene]-1H-indol-2-one
CID 126200954
(3Z)-3-[(3-ethoxy-5-iodo-4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 126118994
3-[[4-(1-quinolin-4-ylethoxy)phenyl]methylidene]-1H-indol-2-one
CID 69454001
(3Z)-3-[(3,4-dimethylphenyl)methylidene]-1H-indol-2-one
CID 58923998

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of 3-[(4-ethoxyphenyl)methylidene]-1H-indol-2-one (CID 2803146) is 3-[(4-ethoxyphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 3-[(4-ethoxyphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for 3-[(4-ethoxyphenyl)methylidene]-1H-indol-2-one is CCOc1ccc(C=C2C(=O)Nc3ccccc32)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)methylidene]-1H-indol-2-one?
The InChIKey is HRMBLFNBKLEZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-2-20-13-9-7-12(8-10-13)11-15-14-5-3-4-6-16(14)18-17(15)19/h3-11H,2H2,1H3,(H,18,19).
What are the key properties of 3-[(4-ethoxyphenyl)methylidene]-1H-indol-2-one?
3-[(4-ethoxyphenyl)methylidene]-1H-indol-2-one has a molecular weight of 265.31 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 2803146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).