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

C17H13NO — CID 5355550

IUPAC(E)-1-(1H-indol-3-yl)-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C17H13NO/c19-17(11-10-13-6-2-1-3-7-13)15-12-18-16-9-5-4-8-14(15)16/h1-12,18H/b11-10+
InChIKeyKEZYTIZZNLLCGX-ZHACJKMWSA-N
MW247.30 g/mol
LogP4.06
Rot. Bonds3

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

(E)-1-(1H-indol-3-yl)-3-phenylprop-2-en-1-one (PubChem CID 5355550) has the molecular formula C17H13NO and a molecular weight of 247.30 g/mol. Its IUPAC name is (E)-1-(1H-indol-3-yl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(1H-indol-3-yl)-3-phenylprop-2-en-1-one
PubChem CID5355550
Molecular FormulaC17H13NO
Molecular Weight247.30 g/mol
Exact Mass247.10
IUPAC Name(E)-1-(1H-indol-3-yl)-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C17H13NO/c19-17(11-10-13-6-2-1-3-7-13)15-12-18-16-9-5-4-8-14(15)16/h1-12,18H/b11-10+
InChIKeyKEZYTIZZNLLCGX-ZHACJKMWSA-N
XLogP4.06
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 54.06
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 (E)-1-(1H-indol-3-yl)-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-(1H-indol-3-yl)-3-phenylprop-2-en-1-one (CID 5355550) is (E)-1-(1H-indol-3-yl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(1H-indol-3-yl)-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-(1H-indol-3-yl)-3-phenylprop-2-en-1-one is O=C(/C=C/c1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of (E)-1-(1H-indol-3-yl)-3-phenylprop-2-en-1-one?
The InChIKey is KEZYTIZZNLLCGX-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H13NO/c19-17(11-10-13-6-2-1-3-7-13)15-12-18-16-9-5-4-8-14(15)16/h1-12,18H/b11-10+.
What are the key properties of (E)-1-(1H-indol-3-yl)-3-phenylprop-2-en-1-one?
(E)-1-(1H-indol-3-yl)-3-phenylprop-2-en-1-one has a molecular weight of 247.30 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1H-indol-3-yl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 5355550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).