(E)-1-(2,3-dihydro-1H-inden-2-yl)-3-(2-fluorocyclopentyl)prop-2-en-1-one

C17H19FO — CID 143807238

IUPAC(E)-1-(2,3-dihydro-1H-inden-2-yl)-3-(2-fluorocyclopentyl)prop-2-en-1-one
SMILESO=C(/C=C/C1CCCC1F)C1Cc2ccccc2C1
InChIInChI=1S/C17H19FO/c18-16-7-3-6-12(16)8-9-17(19)15-10-13-4-1-2-5-14(13)11-15/h1-2,4-5,8-9,12,15-16H,3,6-7,10-11H2/b9-8+
InChIKeyGNFTYENCTUIBQB-CMDGGOBGSA-N
MW258.34 g/mol
LogP3.66
Rot. Bonds3

About (E)-1-(2,3-dihydro-1H-inden-2-yl)-3-(2-fluorocyclopentyl)prop-2-en-1-one

(E)-1-(2,3-dihydro-1H-inden-2-yl)-3-(2-fluorocyclopentyl)prop-2-en-1-one (PubChem CID 143807238) has the molecular formula C17H19FO and a molecular weight of 258.34 g/mol. Its IUPAC name is (E)-1-(2,3-dihydro-1H-inden-2-yl)-3-(2-fluorocyclopentyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2,3-dihydro-1H-inden-2-yl)-3-(2-fluorocyclopentyl)prop-2-en-1-one
PubChem CID143807238
Molecular FormulaC17H19FO
Molecular Weight258.34 g/mol
Exact Mass258.14
IUPAC Name(E)-1-(2,3-dihydro-1H-inden-2-yl)-3-(2-fluorocyclopentyl)prop-2-en-1-one
SMILESO=C(/C=C/C1CCCC1F)C1Cc2ccccc2C1
InChIInChI=1S/C17H19FO/c18-16-7-3-6-12(16)8-9-17(19)15-10-13-4-1-2-5-14(13)11-15/h1-2,4-5,8-9,12,15-16H,3,6-7,10-11H2/b9-8+
InChIKeyGNFTYENCTUIBQB-CMDGGOBGSA-N
XLogP3.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.66
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-dihydro-1H-inden-2-yl)-3-(2-fluorocyclopentyl)prop-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

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,3-dihydro-1H-inden-2-yl)-3-(2-fluorocyclopentyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2,3-dihydro-1H-inden-2-yl)-3-(2-fluorocyclopentyl)prop-2-en-1-one (CID 143807238) is (E)-1-(2,3-dihydro-1H-inden-2-yl)-3-(2-fluorocyclopentyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2,3-dihydro-1H-inden-2-yl)-3-(2-fluorocyclopentyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2,3-dihydro-1H-inden-2-yl)-3-(2-fluorocyclopentyl)prop-2-en-1-one is O=C(/C=C/C1CCCC1F)C1Cc2ccccc2C1.
What is the InChIKey of (E)-1-(2,3-dihydro-1H-inden-2-yl)-3-(2-fluorocyclopentyl)prop-2-en-1-one?
The InChIKey is GNFTYENCTUIBQB-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H19FO/c18-16-7-3-6-12(16)8-9-17(19)15-10-13-4-1-2-5-14(13)11-15/h1-2,4-5,8-9,12,15-16H,3,6-7,10-11H2/b9-8+.
What are the key properties of (E)-1-(2,3-dihydro-1H-inden-2-yl)-3-(2-fluorocyclopentyl)prop-2-en-1-one?
(E)-1-(2,3-dihydro-1H-inden-2-yl)-3-(2-fluorocyclopentyl)prop-2-en-1-one has a molecular weight of 258.34 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,3-dihydro-1H-inden-2-yl)-3-(2-fluorocyclopentyl)prop-2-en-1-one is sourced from PubChem (CID 143807238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).