(E)-4-[3-(5-methylfuran-2-yl)-1H-indol-2-yl]but-3-en-2-one

C17H15NO2 — CID 11086675

IUPAC(E)-4-[3-(5-methylfuran-2-yl)-1H-indol-2-yl]but-3-en-2-one
SMILESCC(=O)/C=C/c1[nH]c2ccccc2c1-c1ccc(C)o1
InChIInChI=1S/C17H15NO2/c1-11(19)7-9-15-17(16-10-8-12(2)20-16)13-5-3-4-6-14(13)18-15/h3-10,18H,1-2H3/b9-7+
InChIKeyYDUFTINQUMKJQK-VQHVLOKHSA-N
MW265.31 g/mol
LogP4.34
Rot. Bonds3

About (E)-4-[3-(5-methylfuran-2-yl)-1H-indol-2-yl]but-3-en-2-one

(E)-4-[3-(5-methylfuran-2-yl)-1H-indol-2-yl]but-3-en-2-one (PubChem CID 11086675) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is (E)-4-[3-(5-methylfuran-2-yl)-1H-indol-2-yl]but-3-en-2-one.

Molecular Properties

Compound Name(E)-4-[3-(5-methylfuran-2-yl)-1H-indol-2-yl]but-3-en-2-one
PubChem CID11086675
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name(E)-4-[3-(5-methylfuran-2-yl)-1H-indol-2-yl]but-3-en-2-one
SMILESCC(=O)/C=C/c1[nH]c2ccccc2c1-c1ccc(C)o1
InChIInChI=1S/C17H15NO2/c1-11(19)7-9-15-17(16-10-8-12(2)20-16)13-5-3-4-6-14(13)18-15/h3-10,18H,1-2H3/b9-7+
InChIKeyYDUFTINQUMKJQK-VQHVLOKHSA-N
XLogP4.34
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-4-[3-(5-methylfuran-2-yl)-1H-indol-2-yl]but-3-en-2-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)-4-[3-(5-methylfuran-2-yl)-1H-indol-2-yl]but-3-en-2-one?
The IUPAC name of (E)-4-[3-(5-methylfuran-2-yl)-1H-indol-2-yl]but-3-en-2-one (CID 11086675) is (E)-4-[3-(5-methylfuran-2-yl)-1H-indol-2-yl]but-3-en-2-one.
What is the SMILES notation for (E)-4-[3-(5-methylfuran-2-yl)-1H-indol-2-yl]but-3-en-2-one?
The canonical SMILES for (E)-4-[3-(5-methylfuran-2-yl)-1H-indol-2-yl]but-3-en-2-one is CC(=O)/C=C/c1[nH]c2ccccc2c1-c1ccc(C)o1.
What is the InChIKey of (E)-4-[3-(5-methylfuran-2-yl)-1H-indol-2-yl]but-3-en-2-one?
The InChIKey is YDUFTINQUMKJQK-VQHVLOKHSA-N. The full InChI is InChI=1S/C17H15NO2/c1-11(19)7-9-15-17(16-10-8-12(2)20-16)13-5-3-4-6-14(13)18-15/h3-10,18H,1-2H3/b9-7+.
What are the key properties of (E)-4-[3-(5-methylfuran-2-yl)-1H-indol-2-yl]but-3-en-2-one?
(E)-4-[3-(5-methylfuran-2-yl)-1H-indol-2-yl]but-3-en-2-one has a molecular weight of 265.31 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[3-(5-methylfuran-2-yl)-1H-indol-2-yl]but-3-en-2-one is sourced from PubChem (CID 11086675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).