3-[(3-ethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one

C19H19NO2 — CID 57163442

IUPAC3-[(3-ethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one
SMILESCCc1c(C=C2C(=O)Nc3ccccc32)oc2c1CCCC2
InChIInChI=1S/C19H19NO2/c1-2-12-14-8-4-6-10-17(14)22-18(12)11-15-13-7-3-5-9-16(13)20-19(15)21/h3,5,7,9,11H,2,4,6,8,10H2,1H3,(H,20,21)
InChIKeyIPRJFBRNQMUYSW-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.21
Rot. Bonds2

About 3-[(3-ethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one

3-[(3-ethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one (PubChem CID 57163442) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[(3-ethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name3-[(3-ethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one
PubChem CID57163442
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name3-[(3-ethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one
SMILESCCc1c(C=C2C(=O)Nc3ccccc32)oc2c1CCCC2
InChIInChI=1S/C19H19NO2/c1-2-12-14-8-4-6-10-17(14)22-18(12)11-15-13-7-3-5-9-16(13)20-19(15)21/h3,5,7,9,11H,2,4,6,8,10H2,1H3,(H,20,21)
InChIKeyIPRJFBRNQMUYSW-UHFFFAOYSA-N
XLogP4.21
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(3-ethyl-4,5,6,7-tetrahydro-1-benzofuran-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 3-[(3-ethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one?
The IUPAC name of 3-[(3-ethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one (CID 57163442) is 3-[(3-ethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 3-[(3-ethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for 3-[(3-ethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one is CCc1c(C=C2C(=O)Nc3ccccc32)oc2c1CCCC2.
What is the InChIKey of 3-[(3-ethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one?
The InChIKey is IPRJFBRNQMUYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-2-12-14-8-4-6-10-17(14)22-18(12)11-15-13-7-3-5-9-16(13)20-19(15)21/h3,5,7,9,11H,2,4,6,8,10H2,1H3,(H,20,21).
What are the key properties of 3-[(3-ethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one?
3-[(3-ethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one has a molecular weight of 293.37 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 57163442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).