(3E)-6-(3-methoxyphenyl)-3-[(2-prop-2-enoxyphenyl)methylidene]-1H-indol-2-one

C25H21NO3 — CID 58662684

IUPAC(3E)-6-(3-methoxyphenyl)-3-[(2-prop-2-enoxyphenyl)methylidene]-1H-indol-2-one
SMILESC=CCOc1ccccc1/C=C1/C(=O)Nc2cc(-c3cccc(OC)c3)ccc21
InChIInChI=1S/C25H21NO3/c1-3-13-29-24-10-5-4-7-19(24)15-22-21-12-11-18(16-23(21)26-25(22)27)17-8-6-9-20(14-17)28-2/h3-12,14-16H,1,13H2,2H3,(H,26,27)/b22-15+
InChIKeyFNGAHQKHWRZRFM-PXLXIMEGSA-N
MW383.45 g/mol
LogP5.42
Rot. Bonds6

About (3E)-6-(3-methoxyphenyl)-3-[(2-prop-2-enoxyphenyl)methylidene]-1H-indol-2-one

(3E)-6-(3-methoxyphenyl)-3-[(2-prop-2-enoxyphenyl)methylidene]-1H-indol-2-one (PubChem CID 58662684) has the molecular formula C25H21NO3 and a molecular weight of 383.45 g/mol. Its IUPAC name is (3E)-6-(3-methoxyphenyl)-3-[(2-prop-2-enoxyphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-6-(3-methoxyphenyl)-3-[(2-prop-2-enoxyphenyl)methylidene]-1H-indol-2-one
PubChem CID58662684
Molecular FormulaC25H21NO3
Molecular Weight383.45 g/mol
Exact Mass383.15
IUPAC Name(3E)-6-(3-methoxyphenyl)-3-[(2-prop-2-enoxyphenyl)methylidene]-1H-indol-2-one
SMILESC=CCOc1ccccc1/C=C1/C(=O)Nc2cc(-c3cccc(OC)c3)ccc21
InChIInChI=1S/C25H21NO3/c1-3-13-29-24-10-5-4-7-19(24)15-22-21-12-11-18(16-23(21)26-25(22)27)17-8-6-9-20(14-17)28-2/h3-12,14-16H,1,13H2,2H3,(H,26,27)/b22-15+
InChIKeyFNGAHQKHWRZRFM-PXLXIMEGSA-N
XLogP5.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.42
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

CID 8269
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CID 672251
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CID 209910
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CID 46233144
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CID 44264904
CID 44264904
CID 44264909
CID 44264909
CID 798645
CID 798645
CID 803097
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CID 1308956
CID 1308956
CID 1313990
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CID 2707579
CID 2707579
CID 994631
CID 994631

Frequently Asked Questions

What is the IUPAC name of (3E)-6-(3-methoxyphenyl)-3-[(2-prop-2-enoxyphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-6-(3-methoxyphenyl)-3-[(2-prop-2-enoxyphenyl)methylidene]-1H-indol-2-one (CID 58662684) is (3E)-6-(3-methoxyphenyl)-3-[(2-prop-2-enoxyphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-6-(3-methoxyphenyl)-3-[(2-prop-2-enoxyphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-6-(3-methoxyphenyl)-3-[(2-prop-2-enoxyphenyl)methylidene]-1H-indol-2-one is C=CCOc1ccccc1/C=C1/C(=O)Nc2cc(-c3cccc(OC)c3)ccc21.
What is the InChIKey of (3E)-6-(3-methoxyphenyl)-3-[(2-prop-2-enoxyphenyl)methylidene]-1H-indol-2-one?
The InChIKey is FNGAHQKHWRZRFM-PXLXIMEGSA-N. The full InChI is InChI=1S/C25H21NO3/c1-3-13-29-24-10-5-4-7-19(24)15-22-21-12-11-18(16-23(21)26-25(22)27)17-8-6-9-20(14-17)28-2/h3-12,14-16H,1,13H2,2H3,(H,26,27)/b22-15+.
What are the key properties of (3E)-6-(3-methoxyphenyl)-3-[(2-prop-2-enoxyphenyl)methylidene]-1H-indol-2-one?
(3E)-6-(3-methoxyphenyl)-3-[(2-prop-2-enoxyphenyl)methylidene]-1H-indol-2-one has a molecular weight of 383.45 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-(3-methoxyphenyl)-3-[(2-prop-2-enoxyphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 58662684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).