(E)-1-(2,3-dihydroindol-1-yl)-3-phenylprop-2-en-1-one

C17H15NO — CID 708145

IUPAC(E)-1-(2,3-dihydroindol-1-yl)-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C17H15NO/c19-17(11-10-14-6-2-1-3-7-14)18-13-12-15-8-4-5-9-16(15)18/h1-11H,12-13H2/b11-10+
InChIKeyKOXWNCZJMHQJNC-ZHACJKMWSA-N
MW249.31 g/mol
LogP3.29
Rot. Bonds2

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

(E)-1-(2,3-dihydroindol-1-yl)-3-phenylprop-2-en-1-one (PubChem CID 708145) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is (E)-1-(2,3-dihydroindol-1-yl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2,3-dihydroindol-1-yl)-3-phenylprop-2-en-1-one
PubChem CID708145
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name(E)-1-(2,3-dihydroindol-1-yl)-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C17H15NO/c19-17(11-10-14-6-2-1-3-7-14)18-13-12-15-8-4-5-9-16(15)18/h1-11H,12-13H2/b11-10+
InChIKeyKOXWNCZJMHQJNC-ZHACJKMWSA-N
XLogP3.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-1-(2,3-dihydroindol-1-yl)-3-phenylprop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-bromophenyl)-1-(2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 5139349
(E)-1-[2-(2,3-dihydroindole-1-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-phenylprop-2-en-1-one
CID 86776117
(E)-3-phenyl-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 55438489
1-(2,3-dihydroindol-1-yl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-en-1-one
CID 85460293
1-(3-phenylprop-2-enoyl)-2,3-dihydrobenzo[g]quinolin-4-one
CID 668612
3-[4-(difluoromethoxy)-3-methoxyphenyl]-1-(2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 3334168
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one
CID 8852103
(E)-1-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-3-phenylprop-2-en-1-one
CID 97416089
(E)-N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-3-phenylprop-2-enamide
CID 905163
(E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-nitrophenyl)prop-2-en-1-one
CID 891210
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,3-dihydroindol-1-yl)-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-(2,3-dihydroindol-1-yl)-3-phenylprop-2-en-1-one (CID 708145) is (E)-1-(2,3-dihydroindol-1-yl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(2,3-dihydroindol-1-yl)-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-(2,3-dihydroindol-1-yl)-3-phenylprop-2-en-1-one is O=C(/C=C/c1ccccc1)N1CCc2ccccc21.
What is the InChIKey of (E)-1-(2,3-dihydroindol-1-yl)-3-phenylprop-2-en-1-one?
The InChIKey is KOXWNCZJMHQJNC-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H15NO/c19-17(11-10-14-6-2-1-3-7-14)18-13-12-15-8-4-5-9-16(15)18/h1-11H,12-13H2/b11-10+.
What are the key properties of (E)-1-(2,3-dihydroindol-1-yl)-3-phenylprop-2-en-1-one?
(E)-1-(2,3-dihydroindol-1-yl)-3-phenylprop-2-en-1-one has a molecular weight of 249.31 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,3-dihydroindol-1-yl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 708145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).