(E)-1-indol-1-yl-3-phenylprop-2-en-1-one

C17H13NO — CID 11139452

IUPAC(E)-1-indol-1-yl-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)n1ccc2ccccc21
InChIInChI=1S/C17H13NO/c19-17(11-10-14-6-2-1-3-7-14)18-13-12-15-8-4-5-9-16(15)18/h1-13H/b11-10+
InChIKeyTZESEVOODDUWFL-ZHACJKMWSA-N
MW247.30 g/mol
LogP3.99
Rot. Bonds2

About (E)-1-indol-1-yl-3-phenylprop-2-en-1-one

(E)-1-indol-1-yl-3-phenylprop-2-en-1-one (PubChem CID 11139452) has the molecular formula C17H13NO and a molecular weight of 247.30 g/mol. Its IUPAC name is (E)-1-indol-1-yl-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-indol-1-yl-3-phenylprop-2-en-1-one
PubChem CID11139452
Molecular FormulaC17H13NO
Molecular Weight247.30 g/mol
Exact Mass247.10
IUPAC Name(E)-1-indol-1-yl-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)n1ccc2ccccc21
InChIInChI=1S/C17H13NO/c19-17(11-10-14-6-2-1-3-7-14)18-13-12-15-8-4-5-9-16(15)18/h1-13H/b11-10+
InChIKeyTZESEVOODDUWFL-ZHACJKMWSA-N
XLogP3.99
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (E)-1-indol-1-yl-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-indol-1-yl-3-phenylprop-2-en-1-one (CID 11139452) is (E)-1-indol-1-yl-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-indol-1-yl-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-indol-1-yl-3-phenylprop-2-en-1-one is O=C(/C=C/c1ccccc1)n1ccc2ccccc21.
What is the InChIKey of (E)-1-indol-1-yl-3-phenylprop-2-en-1-one?
The InChIKey is TZESEVOODDUWFL-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H13NO/c19-17(11-10-14-6-2-1-3-7-14)18-13-12-15-8-4-5-9-16(15)18/h1-13H/b11-10+.
What are the key properties of (E)-1-indol-1-yl-3-phenylprop-2-en-1-one?
(E)-1-indol-1-yl-3-phenylprop-2-en-1-one has a molecular weight of 247.30 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-indol-1-yl-3-phenylprop-2-en-1-one is sourced from PubChem (CID 11139452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).