(E)-3-(3-fluorophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)prop-2-en-1-one

C18H16FNO — CID 6299193

IUPAC(E)-3-(3-fluorophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)prop-2-en-1-one
SMILESCC1Cc2ccccc2N1C(=O)/C=C/c1cccc(F)c1
InChIInChI=1S/C18H16FNO/c1-13-11-15-6-2-3-8-17(15)20(13)18(21)10-9-14-5-4-7-16(19)12-14/h2-10,12-13H,11H2,1H3/b10-9+
InChIKeyQLTWBFHDVRDEQM-MDZDMXLPSA-N
MW281.33 g/mol
LogP3.82
Rot. Bonds2

About (E)-3-(3-fluorophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)prop-2-en-1-one

(E)-3-(3-fluorophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)prop-2-en-1-one (PubChem CID 6299193) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is (E)-3-(3-fluorophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3-fluorophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)prop-2-en-1-one
PubChem CID6299193
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name(E)-3-(3-fluorophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)prop-2-en-1-one
SMILESCC1Cc2ccccc2N1C(=O)/C=C/c1cccc(F)c1
InChIInChI=1S/C18H16FNO/c1-13-11-15-6-2-3-8-17(15)20(13)18(21)10-9-14-5-4-7-16(19)12-14/h2-10,12-13H,11H2,1H3/b10-9+
InChIKeyQLTWBFHDVRDEQM-MDZDMXLPSA-N
XLogP3.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
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)-3-(3-fluorophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(3-fluorophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)prop-2-en-1-one (CID 6299193) is (E)-3-(3-fluorophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(3-fluorophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(3-fluorophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)prop-2-en-1-one is CC1Cc2ccccc2N1C(=O)/C=C/c1cccc(F)c1.
What is the InChIKey of (E)-3-(3-fluorophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)prop-2-en-1-one?
The InChIKey is QLTWBFHDVRDEQM-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H16FNO/c1-13-11-15-6-2-3-8-17(15)20(13)18(21)10-9-14-5-4-7-16(19)12-14/h2-10,12-13H,11H2,1H3/b10-9+.
What are the key properties of (E)-3-(3-fluorophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)prop-2-en-1-one?
(E)-3-(3-fluorophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)prop-2-en-1-one has a molecular weight of 281.33 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluorophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)prop-2-en-1-one is sourced from PubChem (CID 6299193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).