(3E)-5-fluoro-3-[(1-fluoroazulen-2-yl)methylidene]-1H-indol-2-one

C19H11F2NO — CID 59301657

IUPAC(3E)-5-fluoro-3-[(1-fluoroazulen-2-yl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=C\c1cc2cccccc-2c1F
InChIInChI=1S/C19H11F2NO/c20-13-6-7-17-15(10-13)16(19(23)22-17)9-12-8-11-4-2-1-3-5-14(11)18(12)21/h1-10H,(H,22,23)/b16-9+
InChIKeyJZDYBXWNXYSDQF-CXUHLZMHSA-N
MW307.30 g/mol
LogP4.56
Rot. Bonds1

About (3E)-5-fluoro-3-[(1-fluoroazulen-2-yl)methylidene]-1H-indol-2-one

(3E)-5-fluoro-3-[(1-fluoroazulen-2-yl)methylidene]-1H-indol-2-one (PubChem CID 59301657) has the molecular formula C19H11F2NO and a molecular weight of 307.30 g/mol. Its IUPAC name is (3E)-5-fluoro-3-[(1-fluoroazulen-2-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5-fluoro-3-[(1-fluoroazulen-2-yl)methylidene]-1H-indol-2-one
PubChem CID59301657
Molecular FormulaC19H11F2NO
Molecular Weight307.30 g/mol
Exact Mass307.08
IUPAC Name(3E)-5-fluoro-3-[(1-fluoroazulen-2-yl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=C\c1cc2cccccc-2c1F
InChIInChI=1S/C19H11F2NO/c20-13-6-7-17-15(10-13)16(19(23)22-17)9-12-8-11-4-2-1-3-5-14(11)18(12)21/h1-10H,(H,22,23)/b16-9+
InChIKeyJZDYBXWNXYSDQF-CXUHLZMHSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-1,3-dihydro-2H-indol-2-one
CID 3731012
3-Benzylideneindolin-2-one
CID 1551501
(3E)-3-(3-methylbut-2-enylidene)-1H-indol-2-one
CID 5319526
3-Ethylideneindolin-2-one
CID 12331358
6-fluoro-2,3-dihydro-1H-indol-2-one
CID 3731013
(3Z)-3-[2-(4-fluorophenyl)-2-oxoethylidene]-2,3-dihydro-1H-indol-2-one
CID 682363
(3Z)-3-[(2E)-3-Phenylprop-2-EN-1-ylidene]-2,3-dihydro-1H-indol-2-one
CID 2306524
(E)-5-fluoro-3-((3-methylazulen-1-yl)methylene)indolin-2-one
CID 25264354
(Z)-5-fluoro-3-((3-fluoroazulen-1-yl)methylene)indolin-2-one
CID 52944383
(Z)-5-fluoro-3-((3-methylazulen-1-yl)methylene)indolin-2-one
CID 52945586
3-Azulen-1-ylmethylene-1,3-dihydro-indol-2-one
CID 57390079
(3Z)-3-(2-fluorobenzylidene)-1,3-dihydro-2H-indol-2-one
CID 2077938

Frequently Asked Questions

What is the IUPAC name of (3E)-5-fluoro-3-[(1-fluoroazulen-2-yl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-5-fluoro-3-[(1-fluoroazulen-2-yl)methylidene]-1H-indol-2-one (CID 59301657) is (3E)-5-fluoro-3-[(1-fluoroazulen-2-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-5-fluoro-3-[(1-fluoroazulen-2-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-5-fluoro-3-[(1-fluoroazulen-2-yl)methylidene]-1H-indol-2-one is O=C1Nc2ccc(F)cc2/C1=C\c1cc2cccccc-2c1F.
What is the InChIKey of (3E)-5-fluoro-3-[(1-fluoroazulen-2-yl)methylidene]-1H-indol-2-one?
The InChIKey is JZDYBXWNXYSDQF-CXUHLZMHSA-N. The full InChI is InChI=1S/C19H11F2NO/c20-13-6-7-17-15(10-13)16(19(23)22-17)9-12-8-11-4-2-1-3-5-14(11)18(12)21/h1-10H,(H,22,23)/b16-9+.
What are the key properties of (3E)-5-fluoro-3-[(1-fluoroazulen-2-yl)methylidene]-1H-indol-2-one?
(3E)-5-fluoro-3-[(1-fluoroazulen-2-yl)methylidene]-1H-indol-2-one has a molecular weight of 307.30 g/mol, XLogP of 4.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-fluoro-3-[(1-fluoroazulen-2-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 59301657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).