(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'}

Analyze (E)-1-(2,3-dihydroindol-1-yl)-3-(furan-2-yl)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

Related Compounds

2,3-Dihydroindol-1-yl-(2-methylfuran-3-yl)methanone
CID 705594
1-(4-Ethoxybenzoyl)indoline
CID 669395
2-(2-Furylmethylthio)-1-indolinylethan-1-one
CID 2374353
(E)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)-N-methylprop-2-enamide
CID 2672624
2-Methyl-1-(5-methyl-2-furoyl)indoline
CID 2971468
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]furan-2-carboxamide
CID 4875841
(E)-1-(2,3-dihydroindol-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one
CID 896982
1-(5-Methyl-2-furoyl)indoline
CID 897776
(5Z)-5-(2-furylmethylene)-3-(4-methylphenyl)-2-thioxo-1,3-thiazolidin-4-one
CID 2252653
5-(2-Furylmethylene)-3-(4-methylphenyl)-2-thioxo-1,3-thiazolidin-4-one
CID 2252654
2H-Indol-2-one, 1,3-dihydro-3-[(5-methyl-2-furanyl)methylene]-
CID 2358463
(3Z)-3-(furan-2-ylmethylidene)-5-methyl-1H-indol-2-one
CID 5884926

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).