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

C17H15NO — CID 17465083

IUPAC(3E)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one
SMILESCCc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H15NO/c1-2-12-7-9-13(10-8-12)11-15-14-5-3-4-6-16(14)18-17(15)19/h3-11H,2H2,1H3,(H,18,19)/b15-11+
InChIKeyXPWNIRLKDOYVMF-RVDMUPIBSA-N
MW249.31 g/mol
LogP3.74
Rot. Bonds2

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

(3E)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one (PubChem CID 17465083) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is (3E)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one
PubChem CID17465083
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name(3E)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one
SMILESCCc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H15NO/c1-2-12-7-9-13(10-8-12)11-15-14-5-3-4-6-16(14)18-17(15)19/h3-11H,2H2,1H3,(H,18,19)/b15-11+
InChIKeyXPWNIRLKDOYVMF-RVDMUPIBSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one (CID 17465083) is (3E)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one is CCc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1.
What is the InChIKey of (3E)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one?
The InChIKey is XPWNIRLKDOYVMF-RVDMUPIBSA-N. The full InChI is InChI=1S/C17H15NO/c1-2-12-7-9-13(10-8-12)11-15-14-5-3-4-6-16(14)18-17(15)19/h3-11H,2H2,1H3,(H,18,19)/b15-11+.
What are the key properties of (3E)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one?
(3E)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one has a molecular weight of 249.31 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 17465083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).