(2E,5E)-2,5-bis(2,3-dihydroindol-1-ylmethylidene)cyclopentan-1-one

C23H22N2O — CID 59550191

IUPAC(2E,5E)-2,5-bis(2,3-dihydroindol-1-ylmethylidene)cyclopentan-1-one
SMILESO=C1/C(=C/N2CCc3ccccc32)CC/C1=C\N1CCc2ccccc21
InChIInChI=1S/C23H22N2O/c26-23-19(15-24-13-11-17-5-1-3-7-21(17)24)9-10-20(23)16-25-14-12-18-6-2-4-8-22(18)25/h1-8,15-16H,9-14H2/b19-15+,20-16+
InChIKeyAIBMXMVHTFUJCH-MXWIWYRXSA-N
MW342.44 g/mol
LogP4.24
Rot. Bonds2

About (2E,5E)-2,5-bis(2,3-dihydroindol-1-ylmethylidene)cyclopentan-1-one

(2E,5E)-2,5-bis(2,3-dihydroindol-1-ylmethylidene)cyclopentan-1-one (PubChem CID 59550191) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is (2E,5E)-2,5-bis(2,3-dihydroindol-1-ylmethylidene)cyclopentan-1-one.

Molecular Properties

Compound Name(2E,5E)-2,5-bis(2,3-dihydroindol-1-ylmethylidene)cyclopentan-1-one
PubChem CID59550191
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name(2E,5E)-2,5-bis(2,3-dihydroindol-1-ylmethylidene)cyclopentan-1-one
SMILESO=C1/C(=C/N2CCc3ccccc32)CC/C1=C\N1CCc2ccccc21
InChIInChI=1S/C23H22N2O/c26-23-19(15-24-13-11-17-5-1-3-7-21(17)24)9-10-20(23)16-25-14-12-18-6-2-4-8-22(18)25/h1-8,15-16H,9-14H2/b19-15+,20-16+
InChIKeyAIBMXMVHTFUJCH-MXWIWYRXSA-N
XLogP4.24
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E,5E)-2,5-bis(2,3-dihydroindol-1-ylmethylidene)cyclopentan-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

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-2,5-bis(2,3-dihydroindol-1-ylmethylidene)cyclopentan-1-one?
The IUPAC name of (2E,5E)-2,5-bis(2,3-dihydroindol-1-ylmethylidene)cyclopentan-1-one (CID 59550191) is (2E,5E)-2,5-bis(2,3-dihydroindol-1-ylmethylidene)cyclopentan-1-one.
What is the SMILES notation for (2E,5E)-2,5-bis(2,3-dihydroindol-1-ylmethylidene)cyclopentan-1-one?
The canonical SMILES for (2E,5E)-2,5-bis(2,3-dihydroindol-1-ylmethylidene)cyclopentan-1-one is O=C1/C(=C/N2CCc3ccccc32)CC/C1=C\N1CCc2ccccc21.
What is the InChIKey of (2E,5E)-2,5-bis(2,3-dihydroindol-1-ylmethylidene)cyclopentan-1-one?
The InChIKey is AIBMXMVHTFUJCH-MXWIWYRXSA-N. The full InChI is InChI=1S/C23H22N2O/c26-23-19(15-24-13-11-17-5-1-3-7-21(17)24)9-10-20(23)16-25-14-12-18-6-2-4-8-22(18)25/h1-8,15-16H,9-14H2/b19-15+,20-16+.
What are the key properties of (2E,5E)-2,5-bis(2,3-dihydroindol-1-ylmethylidene)cyclopentan-1-one?
(2E,5E)-2,5-bis(2,3-dihydroindol-1-ylmethylidene)cyclopentan-1-one has a molecular weight of 342.44 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-2,5-bis(2,3-dihydroindol-1-ylmethylidene)cyclopentan-1-one is sourced from PubChem (CID 59550191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).