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

C16H12FNO2 — CID 44582306

IUPAC(3E)-6-fluoro-3-[(3-methoxyphenyl)methylidene]-1H-indol-2-one
SMILESCOc1cccc(/C=C2/C(=O)Nc3cc(F)ccc32)c1
InChIInChI=1S/C16H12FNO2/c1-20-12-4-2-3-10(7-12)8-14-13-6-5-11(17)9-15(13)18-16(14)19/h2-9H,1H3,(H,18,19)/b14-8+
InChIKeyBFGVLRGWIKCUCH-RIYZIHGNSA-N
MW269.28 g/mol
LogP3.33
Rot. Bonds2

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

(3E)-6-fluoro-3-[(3-methoxyphenyl)methylidene]-1H-indol-2-one (PubChem CID 44582306) has the molecular formula C16H12FNO2 and a molecular weight of 269.28 g/mol. Its IUPAC name is (3E)-6-fluoro-3-[(3-methoxyphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-6-fluoro-3-[(3-methoxyphenyl)methylidene]-1H-indol-2-one
PubChem CID44582306
Molecular FormulaC16H12FNO2
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC Name(3E)-6-fluoro-3-[(3-methoxyphenyl)methylidene]-1H-indol-2-one
SMILESCOc1cccc(/C=C2/C(=O)Nc3cc(F)ccc32)c1
InChIInChI=1S/C16H12FNO2/c1-20-12-4-2-3-10(7-12)8-14-13-6-5-11(17)9-15(13)18-16(14)19/h2-9H,1H3,(H,18,19)/b14-8+
InChIKeyBFGVLRGWIKCUCH-RIYZIHGNSA-N
XLogP3.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.33
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-fluoro-3-[(3-methoxyphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-6-fluoro-3-[(3-methoxyphenyl)methylidene]-1H-indol-2-one (CID 44582306) is (3E)-6-fluoro-3-[(3-methoxyphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-6-fluoro-3-[(3-methoxyphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-6-fluoro-3-[(3-methoxyphenyl)methylidene]-1H-indol-2-one is COc1cccc(/C=C2/C(=O)Nc3cc(F)ccc32)c1.
What is the InChIKey of (3E)-6-fluoro-3-[(3-methoxyphenyl)methylidene]-1H-indol-2-one?
The InChIKey is BFGVLRGWIKCUCH-RIYZIHGNSA-N. The full InChI is InChI=1S/C16H12FNO2/c1-20-12-4-2-3-10(7-12)8-14-13-6-5-11(17)9-15(13)18-16(14)19/h2-9H,1H3,(H,18,19)/b14-8+.
What are the key properties of (3E)-6-fluoro-3-[(3-methoxyphenyl)methylidene]-1H-indol-2-one?
(3E)-6-fluoro-3-[(3-methoxyphenyl)methylidene]-1H-indol-2-one has a molecular weight of 269.28 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-fluoro-3-[(3-methoxyphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 44582306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).