(3E)-3-[2-oxo-2-(2-prop-2-enoxyphenyl)ethylidene]-1H-indol-2-one

C19H15NO3 — CID 6227965

IUPAC(3E)-3-[2-oxo-2-(2-prop-2-enoxyphenyl)ethylidene]-1H-indol-2-one
SMILESC=CCOc1ccccc1C(=O)/C=C1/C(=O)Nc2ccccc21
InChIInChI=1S/C19H15NO3/c1-2-11-23-18-10-6-4-8-14(18)17(21)12-15-13-7-3-5-9-16(13)20-19(15)22/h2-10,12H,1,11H2,(H,20,22)/b15-12+
InChIKeyXDXURRFDCNTOAK-NTCAYCPXSA-N
MW305.33 g/mol
LogP3.47
Rot. Bonds5

About (3E)-3-[2-oxo-2-(2-prop-2-enoxyphenyl)ethylidene]-1H-indol-2-one

(3E)-3-[2-oxo-2-(2-prop-2-enoxyphenyl)ethylidene]-1H-indol-2-one (PubChem CID 6227965) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is (3E)-3-[2-oxo-2-(2-prop-2-enoxyphenyl)ethylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[2-oxo-2-(2-prop-2-enoxyphenyl)ethylidene]-1H-indol-2-one
PubChem CID6227965
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name(3E)-3-[2-oxo-2-(2-prop-2-enoxyphenyl)ethylidene]-1H-indol-2-one
SMILESC=CCOc1ccccc1C(=O)/C=C1/C(=O)Nc2ccccc21
InChIInChI=1S/C19H15NO3/c1-2-11-23-18-10-6-4-8-14(18)17(21)12-15-13-7-3-5-9-16(13)20-19(15)22/h2-10,12H,1,11H2,(H,20,22)/b15-12+
InChIKeyXDXURRFDCNTOAK-NTCAYCPXSA-N
XLogP3.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-[2-oxo-2-(2-prop-2-enoxyphenyl)ethylidene]-1H-indol-2-one?
The IUPAC name of (3E)-3-[2-oxo-2-(2-prop-2-enoxyphenyl)ethylidene]-1H-indol-2-one (CID 6227965) is (3E)-3-[2-oxo-2-(2-prop-2-enoxyphenyl)ethylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[2-oxo-2-(2-prop-2-enoxyphenyl)ethylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-3-[2-oxo-2-(2-prop-2-enoxyphenyl)ethylidene]-1H-indol-2-one is C=CCOc1ccccc1C(=O)/C=C1/C(=O)Nc2ccccc21.
What is the InChIKey of (3E)-3-[2-oxo-2-(2-prop-2-enoxyphenyl)ethylidene]-1H-indol-2-one?
The InChIKey is XDXURRFDCNTOAK-NTCAYCPXSA-N. The full InChI is InChI=1S/C19H15NO3/c1-2-11-23-18-10-6-4-8-14(18)17(21)12-15-13-7-3-5-9-16(13)20-19(15)22/h2-10,12H,1,11H2,(H,20,22)/b15-12+.
What are the key properties of (3E)-3-[2-oxo-2-(2-prop-2-enoxyphenyl)ethylidene]-1H-indol-2-one?
(3E)-3-[2-oxo-2-(2-prop-2-enoxyphenyl)ethylidene]-1H-indol-2-one has a molecular weight of 305.33 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[2-oxo-2-(2-prop-2-enoxyphenyl)ethylidene]-1H-indol-2-one is sourced from PubChem (CID 6227965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).