(3E)-3-(ethoxymethylidene)-1-ethylindol-2-one

C13H15NO2 — CID 658188

IUPAC(3E)-3-(ethoxymethylidene)-1-ethylindol-2-one
SMILESCCO/C=C1/C(=O)N(CC)c2ccccc21
InChIInChI=1S/C13H15NO2/c1-3-14-12-8-6-5-7-10(12)11(13(14)15)9-16-4-2/h5-9H,3-4H2,1-2H3/b11-9+
InChIKeyRTZIWVNYSWFJKW-PKNBQFBNSA-N
MW217.27 g/mol
LogP2.43
Rot. Bonds3

About (3E)-3-(ethoxymethylidene)-1-ethylindol-2-one

(3E)-3-(ethoxymethylidene)-1-ethylindol-2-one (PubChem CID 658188) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (3E)-3-(ethoxymethylidene)-1-ethylindol-2-one.

Molecular Properties

Compound Name(3E)-3-(ethoxymethylidene)-1-ethylindol-2-one
PubChem CID658188
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(3E)-3-(ethoxymethylidene)-1-ethylindol-2-one
SMILESCCO/C=C1/C(=O)N(CC)c2ccccc21
InChIInChI=1S/C13H15NO2/c1-3-14-12-8-6-5-7-10(12)11(13(14)15)9-16-4-2/h5-9H,3-4H2,1-2H3/b11-9+
InChIKeyRTZIWVNYSWFJKW-PKNBQFBNSA-N
XLogP2.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(ethoxymethylidene)-1-ethylindol-2-one?
The IUPAC name of (3E)-3-(ethoxymethylidene)-1-ethylindol-2-one (CID 658188) is (3E)-3-(ethoxymethylidene)-1-ethylindol-2-one.
What is the SMILES notation for (3E)-3-(ethoxymethylidene)-1-ethylindol-2-one?
The canonical SMILES for (3E)-3-(ethoxymethylidene)-1-ethylindol-2-one is CCO/C=C1/C(=O)N(CC)c2ccccc21.
What is the InChIKey of (3E)-3-(ethoxymethylidene)-1-ethylindol-2-one?
The InChIKey is RTZIWVNYSWFJKW-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-14-12-8-6-5-7-10(12)11(13(14)15)9-16-4-2/h5-9H,3-4H2,1-2H3/b11-9+.
What are the key properties of (3E)-3-(ethoxymethylidene)-1-ethylindol-2-one?
(3E)-3-(ethoxymethylidene)-1-ethylindol-2-one has a molecular weight of 217.27 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(ethoxymethylidene)-1-ethylindol-2-one is sourced from PubChem (CID 658188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).