1-[(3E)-3-benzylidene-2H-indol-1-yl]ethanone

C17H15NO — CID 24978376

IUPAC1-[(3E)-3-benzylidene-2H-indol-1-yl]ethanone
SMILESCC(=O)N1C/C(=C/c2ccccc2)c2ccccc21
InChIInChI=1S/C17H15NO/c1-13(19)18-12-15(11-14-7-3-2-4-8-14)16-9-5-6-10-17(16)18/h2-11H,12H2,1H3/b15-11-
InChIKeyZRHNDANIOVOBFB-PTNGSMBKSA-N
MW249.31 g/mol
LogP3.59
Rot. Bonds1

About 1-[(3E)-3-benzylidene-2H-indol-1-yl]ethanone

1-[(3E)-3-benzylidene-2H-indol-1-yl]ethanone (PubChem CID 24978376) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[(3E)-3-benzylidene-2H-indol-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3E)-3-benzylidene-2H-indol-1-yl]ethanone
PubChem CID24978376
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name1-[(3E)-3-benzylidene-2H-indol-1-yl]ethanone
SMILESCC(=O)N1C/C(=C/c2ccccc2)c2ccccc21
InChIInChI=1S/C17H15NO/c1-13(19)18-12-15(11-14-7-3-2-4-8-14)16-9-5-6-10-17(16)18/h2-11H,12H2,1H3/b15-11-
InChIKeyZRHNDANIOVOBFB-PTNGSMBKSA-N
XLogP3.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-acetyl-2H-indol-3-one
CID 538819
(3Z,5Z)-1-acetyl-3,5-dibenzylidenepiperidin-4-one
CID 92525029
1-(3-hydroxyimino-2H-indol-1-yl)ethanone
CID 71820179
1-(3-hydrazinylidene-2H-indol-1-yl)ethanone
CID 85441037
1-acetyl-3,5-dibenzylidenepiperidin-4-one;N-methylmethanamine
CID 67567619
1-[(3E,4E)-1-acetyl-3,4-dibenzylidenecyclopentyl]ethanone
CID 71770734
methyl (2Z)-2-(1-acetyl-2H-indol-3-ylidene)-2-phenylacetate
CID 134961601
(4Z)-4-benzylidene-2,3-dihydronaphthalen-1-one
CID 10399128
tert-butyl (3E)-4-oxo-3-[(E)-3-phenylprop-2-enylidene]-2H-quinoline-1-carboxylate
CID 138983720
1-(4-ethyl-2H-quinolin-1-yl)ethanone
CID 126493212
(3Z,5E)-3,5-dibenzylidene-1-methylpiperidin-4-one
CID 6374106
3,5-dibenzylidene-1-butylpiperidin-4-one
CID 54431976

Frequently Asked Questions

What is the IUPAC name of 1-[(3E)-3-benzylidene-2H-indol-1-yl]ethanone?
The IUPAC name of 1-[(3E)-3-benzylidene-2H-indol-1-yl]ethanone (CID 24978376) is 1-[(3E)-3-benzylidene-2H-indol-1-yl]ethanone.
What is the SMILES notation for 1-[(3E)-3-benzylidene-2H-indol-1-yl]ethanone?
The canonical SMILES for 1-[(3E)-3-benzylidene-2H-indol-1-yl]ethanone is CC(=O)N1C/C(=C/c2ccccc2)c2ccccc21.
What is the InChIKey of 1-[(3E)-3-benzylidene-2H-indol-1-yl]ethanone?
The InChIKey is ZRHNDANIOVOBFB-PTNGSMBKSA-N. The full InChI is InChI=1S/C17H15NO/c1-13(19)18-12-15(11-14-7-3-2-4-8-14)16-9-5-6-10-17(16)18/h2-11H,12H2,1H3/b15-11-.
What are the key properties of 1-[(3E)-3-benzylidene-2H-indol-1-yl]ethanone?
1-[(3E)-3-benzylidene-2H-indol-1-yl]ethanone has a molecular weight of 249.31 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-3-benzylidene-2H-indol-1-yl]ethanone is sourced from PubChem (CID 24978376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).