(3Z)-3-[(E)-3-phenylprop-2-enylidene]-1H-indol-2-one

C17H13NO — CID 2306524

IUPAC(3Z)-3-[(E)-3-phenylprop-2-enylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/C=C/c1ccccc1
InChIInChI=1S/C17H13NO/c19-17-15(14-10-4-5-12-16(14)18-17)11-6-9-13-7-2-1-3-8-13/h1-12H,(H,18,19)/b9-6+,15-11-
InChIKeyMREAOFDYHRBSRT-KXUQTAPDSA-N
MW247.30 g/mol
LogP3.74
Rot. Bonds2

About (3Z)-3-[(E)-3-phenylprop-2-enylidene]-1H-indol-2-one

(3Z)-3-[(E)-3-phenylprop-2-enylidene]-1H-indol-2-one (PubChem CID 2306524) has the molecular formula C17H13NO and a molecular weight of 247.30 g/mol. Its IUPAC name is (3Z)-3-[(E)-3-phenylprop-2-enylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(E)-3-phenylprop-2-enylidene]-1H-indol-2-one
PubChem CID2306524
Molecular FormulaC17H13NO
Molecular Weight247.30 g/mol
Exact Mass247.10
IUPAC Name(3Z)-3-[(E)-3-phenylprop-2-enylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/C=C/c1ccccc1
InChIInChI=1S/C17H13NO/c19-17-15(14-10-4-5-12-16(14)18-17)11-6-9-13-7-2-1-3-8-13/h1-12H,(H,18,19)/b9-6+,15-11-
InChIKeyMREAOFDYHRBSRT-KXUQTAPDSA-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 ≤ 500247.30
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(E)-3-phenylprop-2-enylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(E)-3-phenylprop-2-enylidene]-1H-indol-2-one (CID 2306524) is (3Z)-3-[(E)-3-phenylprop-2-enylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(E)-3-phenylprop-2-enylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(E)-3-phenylprop-2-enylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=C/C=C/c1ccccc1.
What is the InChIKey of (3Z)-3-[(E)-3-phenylprop-2-enylidene]-1H-indol-2-one?
The InChIKey is MREAOFDYHRBSRT-KXUQTAPDSA-N. The full InChI is InChI=1S/C17H13NO/c19-17-15(14-10-4-5-12-16(14)18-17)11-6-9-13-7-2-1-3-8-13/h1-12H,(H,18,19)/b9-6+,15-11-.
What are the key properties of (3Z)-3-[(E)-3-phenylprop-2-enylidene]-1H-indol-2-one?
(3Z)-3-[(E)-3-phenylprop-2-enylidene]-1H-indol-2-one has a molecular weight of 247.30 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 (3Z)-3-[(E)-3-phenylprop-2-enylidene]-1H-indol-2-one is sourced from PubChem (CID 2306524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).