(3E)-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one

C15H9Cl2NO — CID 2047325

IUPAC(3E)-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C\c1c(Cl)cccc1Cl
InChIInChI=1S/C15H9Cl2NO/c16-12-5-3-6-13(17)11(12)8-10-9-4-1-2-7-14(9)18-15(10)19/h1-8H,(H,18,19)/b10-8+
InChIKeyVXPXDUGSIZEARG-CSKARUKUSA-N
MW290.15 g/mol
LogP4.49
Rot. Bonds1

About (3E)-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one

(3E)-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one (PubChem CID 2047325) has the molecular formula C15H9Cl2NO and a molecular weight of 290.15 g/mol. Its IUPAC name is (3E)-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one
PubChem CID2047325
Molecular FormulaC15H9Cl2NO
Molecular Weight290.15 g/mol
Exact Mass289.01
IUPAC Name(3E)-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C\c1c(Cl)cccc1Cl
InChIInChI=1S/C15H9Cl2NO/c16-12-5-3-6-13(17)11(12)8-10-9-4-1-2-7-14(9)18-15(10)19/h1-8H,(H,18,19)/b10-8+
InChIKeyVXPXDUGSIZEARG-CSKARUKUSA-N
XLogP4.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one (CID 2047325) is (3E)-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=C\c1c(Cl)cccc1Cl.
What is the InChIKey of (3E)-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one?
The InChIKey is VXPXDUGSIZEARG-CSKARUKUSA-N. The full InChI is InChI=1S/C15H9Cl2NO/c16-12-5-3-6-13(17)11(12)8-10-9-4-1-2-7-14(9)18-15(10)19/h1-8H,(H,18,19)/b10-8+.
What are the key properties of (3E)-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one?
(3E)-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one has a molecular weight of 290.15 g/mol, XLogP of 4.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 2047325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).