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

C20H21NO2 — CID 58662775

IUPAC(3E)-6-ethoxy-3-[(2-propylphenyl)methylidene]-1H-indol-2-one
SMILESCCCc1ccccc1/C=C1/C(=O)Nc2cc(OCC)ccc21
InChIInChI=1S/C20H21NO2/c1-3-7-14-8-5-6-9-15(14)12-18-17-11-10-16(23-4-2)13-19(17)21-20(18)22/h5-6,8-13H,3-4,7H2,1-2H3,(H,21,22)/b18-12+
InChIKeyRPGOWNRKTLIQIS-LDADJPATSA-N
MW307.39 g/mol
LogP4.53
Rot. Bonds5

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

(3E)-6-ethoxy-3-[(2-propylphenyl)methylidene]-1H-indol-2-one (PubChem CID 58662775) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is (3E)-6-ethoxy-3-[(2-propylphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-6-ethoxy-3-[(2-propylphenyl)methylidene]-1H-indol-2-one
PubChem CID58662775
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name(3E)-6-ethoxy-3-[(2-propylphenyl)methylidene]-1H-indol-2-one
SMILESCCCc1ccccc1/C=C1/C(=O)Nc2cc(OCC)ccc21
InChIInChI=1S/C20H21NO2/c1-3-7-14-8-5-6-9-15(14)12-18-17-11-10-16(23-4-2)13-19(17)21-20(18)22/h5-6,8-13H,3-4,7H2,1-2H3,(H,21,22)/b18-12+
InChIKeyRPGOWNRKTLIQIS-LDADJPATSA-N
XLogP4.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.53
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)-6-ethoxy-3-[(2-propylphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-6-ethoxy-3-[(2-propylphenyl)methylidene]-1H-indol-2-one (CID 58662775) is (3E)-6-ethoxy-3-[(2-propylphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-6-ethoxy-3-[(2-propylphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-6-ethoxy-3-[(2-propylphenyl)methylidene]-1H-indol-2-one is CCCc1ccccc1/C=C1/C(=O)Nc2cc(OCC)ccc21.
What is the InChIKey of (3E)-6-ethoxy-3-[(2-propylphenyl)methylidene]-1H-indol-2-one?
The InChIKey is RPGOWNRKTLIQIS-LDADJPATSA-N. The full InChI is InChI=1S/C20H21NO2/c1-3-7-14-8-5-6-9-15(14)12-18-17-11-10-16(23-4-2)13-19(17)21-20(18)22/h5-6,8-13H,3-4,7H2,1-2H3,(H,21,22)/b18-12+.
What are the key properties of (3E)-6-ethoxy-3-[(2-propylphenyl)methylidene]-1H-indol-2-one?
(3E)-6-ethoxy-3-[(2-propylphenyl)methylidene]-1H-indol-2-one has a molecular weight of 307.39 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-ethoxy-3-[(2-propylphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 58662775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).