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

C15H13NO2 — CID 779814

IUPAC(E)-1-(2,3-dihydroindol-1-yl)-3-(furan-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)N1CCc2ccccc21
InChIInChI=1S/C15H13NO2/c17-15(8-7-13-5-3-11-18-13)16-10-9-12-4-1-2-6-14(12)16/h1-8,11H,9-10H2/b8-7+
InChIKeyXFJDULHCELCQOW-BQYQJAHWSA-N
MW239.27 g/mol
LogP2.88
Rot. Bonds2

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

(E)-1-(2,3-dihydroindol-1-yl)-3-(furan-2-yl)prop-2-en-1-one (PubChem CID 779814) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is (E)-1-(2,3-dihydroindol-1-yl)-3-(furan-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2,3-dihydroindol-1-yl)-3-(furan-2-yl)prop-2-en-1-one
PubChem CID779814
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name(E)-1-(2,3-dihydroindol-1-yl)-3-(furan-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)N1CCc2ccccc21
InChIInChI=1S/C15H13NO2/c17-15(8-7-13-5-3-11-18-13)16-10-9-12-4-1-2-6-14(12)16/h1-8,11H,9-10H2/b8-7+
InChIKeyXFJDULHCELCQOW-BQYQJAHWSA-N
XLogP2.88
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.88
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-(2,3-dihydroindol-1-yl)-3-(furan-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2,3-dihydroindol-1-yl)-3-(furan-2-yl)prop-2-en-1-one (CID 779814) is (E)-1-(2,3-dihydroindol-1-yl)-3-(furan-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2,3-dihydroindol-1-yl)-3-(furan-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2,3-dihydroindol-1-yl)-3-(furan-2-yl)prop-2-en-1-one is O=C(/C=C/c1ccco1)N1CCc2ccccc21.
What is the InChIKey of (E)-1-(2,3-dihydroindol-1-yl)-3-(furan-2-yl)prop-2-en-1-one?
The InChIKey is XFJDULHCELCQOW-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H13NO2/c17-15(8-7-13-5-3-11-18-13)16-10-9-12-4-1-2-6-14(12)16/h1-8,11H,9-10H2/b8-7+.
What are the key properties of (E)-1-(2,3-dihydroindol-1-yl)-3-(furan-2-yl)prop-2-en-1-one?
(E)-1-(2,3-dihydroindol-1-yl)-3-(furan-2-yl)prop-2-en-1-one has a molecular weight of 239.27 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,3-dihydroindol-1-yl)-3-(furan-2-yl)prop-2-en-1-one is sourced from PubChem (CID 779814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).