(3E)-3-[(2-chlorophenyl)methylidene]-6-ethoxy-1H-indol-2-one

C17H14ClNO2 — CID 11514939

IUPAC(3E)-3-[(2-chlorophenyl)methylidene]-6-ethoxy-1H-indol-2-one
SMILESCCOc1ccc2c(c1)NC(=O)/C2=C/c1ccccc1Cl
InChIInChI=1S/C17H14ClNO2/c1-2-21-12-7-8-13-14(17(20)19-16(13)10-12)9-11-5-3-4-6-15(11)18/h3-10H,2H2,1H3,(H,19,20)/b14-9+
InChIKeyDXQFOYGTQJITCL-NTEUORMPSA-N
MW299.76 g/mol
LogP4.23
Rot. Bonds3

About (3E)-3-[(2-chlorophenyl)methylidene]-6-ethoxy-1H-indol-2-one

(3E)-3-[(2-chlorophenyl)methylidene]-6-ethoxy-1H-indol-2-one (PubChem CID 11514939) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is (3E)-3-[(2-chlorophenyl)methylidene]-6-ethoxy-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(2-chlorophenyl)methylidene]-6-ethoxy-1H-indol-2-one
PubChem CID11514939
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name(3E)-3-[(2-chlorophenyl)methylidene]-6-ethoxy-1H-indol-2-one
SMILESCCOc1ccc2c(c1)NC(=O)/C2=C/c1ccccc1Cl
InChIInChI=1S/C17H14ClNO2/c1-2-21-12-7-8-13-14(17(20)19-16(13)10-12)9-11-5-3-4-6-15(11)18/h3-10H,2H2,1H3,(H,19,20)/b14-9+
InChIKeyDXQFOYGTQJITCL-NTEUORMPSA-N
XLogP4.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-chlorophenyl)methylidene]-6-ethoxy-1H-indol-2-one?
The IUPAC name of (3E)-3-[(2-chlorophenyl)methylidene]-6-ethoxy-1H-indol-2-one (CID 11514939) is (3E)-3-[(2-chlorophenyl)methylidene]-6-ethoxy-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(2-chlorophenyl)methylidene]-6-ethoxy-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(2-chlorophenyl)methylidene]-6-ethoxy-1H-indol-2-one is CCOc1ccc2c(c1)NC(=O)/C2=C/c1ccccc1Cl.
What is the InChIKey of (3E)-3-[(2-chlorophenyl)methylidene]-6-ethoxy-1H-indol-2-one?
The InChIKey is DXQFOYGTQJITCL-NTEUORMPSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-2-21-12-7-8-13-14(17(20)19-16(13)10-12)9-11-5-3-4-6-15(11)18/h3-10H,2H2,1H3,(H,19,20)/b14-9+.
What are the key properties of (3E)-3-[(2-chlorophenyl)methylidene]-6-ethoxy-1H-indol-2-one?
(3E)-3-[(2-chlorophenyl)methylidene]-6-ethoxy-1H-indol-2-one has a molecular weight of 299.76 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2-chlorophenyl)methylidene]-6-ethoxy-1H-indol-2-one is sourced from PubChem (CID 11514939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).