(3E)-3-[(5-methylfuran-2-yl)methylidene]-1H-indol-2-one

C14H11NO2 — CID 2358462

IUPAC(3E)-3-[(5-methylfuran-2-yl)methylidene]-1H-indol-2-one
SMILESCc1ccc(/C=C2/C(=O)Nc3ccccc32)o1
InChIInChI=1S/C14H11NO2/c1-9-6-7-10(17-9)8-12-11-4-2-3-5-13(11)15-14(12)16/h2-8H,1H3,(H,15,16)/b12-8+
InChIKeyDWJWWZSAYOTJGO-XYOKQWHBSA-N
MW225.25 g/mol
LogP3.08
Rot. Bonds1

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

(3E)-3-[(5-methylfuran-2-yl)methylidene]-1H-indol-2-one (PubChem CID 2358462) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is (3E)-3-[(5-methylfuran-2-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(5-methylfuran-2-yl)methylidene]-1H-indol-2-one
PubChem CID2358462
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name(3E)-3-[(5-methylfuran-2-yl)methylidene]-1H-indol-2-one
SMILESCc1ccc(/C=C2/C(=O)Nc3ccccc32)o1
InChIInChI=1S/C14H11NO2/c1-9-6-7-10(17-9)8-12-11-4-2-3-5-13(11)15-14(12)16/h2-8H,1H3,(H,15,16)/b12-8+
InChIKeyDWJWWZSAYOTJGO-XYOKQWHBSA-N
XLogP3.08
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E)-3-[(5-methylfuran-2-yl)methylidene]-1H-indol-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 (3E)-3-[(5-methylfuran-2-yl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-3-[(5-methylfuran-2-yl)methylidene]-1H-indol-2-one (CID 2358462) is (3E)-3-[(5-methylfuran-2-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(5-methylfuran-2-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(5-methylfuran-2-yl)methylidene]-1H-indol-2-one is Cc1ccc(/C=C2/C(=O)Nc3ccccc32)o1.
What is the InChIKey of (3E)-3-[(5-methylfuran-2-yl)methylidene]-1H-indol-2-one?
The InChIKey is DWJWWZSAYOTJGO-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H11NO2/c1-9-6-7-10(17-9)8-12-11-4-2-3-5-13(11)15-14(12)16/h2-8H,1H3,(H,15,16)/b12-8+.
What are the key properties of (3E)-3-[(5-methylfuran-2-yl)methylidene]-1H-indol-2-one?
(3E)-3-[(5-methylfuran-2-yl)methylidene]-1H-indol-2-one has a molecular weight of 225.25 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(5-methylfuran-2-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 2358462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).