(7Z)-7-(6-fluoro-3-oxo-1H-indol-2-ylidene)-3a,7a-dihydro-1,2-benzoxazol-6-one

C15H9FN2O3 — CID 51353478

IUPAC(7Z)-7-(6-fluoro-3-oxo-1H-indol-2-ylidene)-3a,7a-dihydro-1,2-benzoxazol-6-one
SMILESO=C1C=CC2C=NOC2/C1=C1/Nc2cc(F)ccc2C1=O
InChIInChI=1S/C15H9FN2O3/c16-8-2-3-9-10(5-8)18-13(14(9)20)12-11(19)4-1-7-6-17-21-15(7)12/h1-7,15,18H/b13-12+
InChIKeyCAFMJQGIUAFRNE-OUKQBFOZSA-N
MW284.25 g/mol
LogP1.83
Rot. Bonds

About (7Z)-7-(6-fluoro-3-oxo-1H-indol-2-ylidene)-3a,7a-dihydro-1,2-benzoxazol-6-one

(7Z)-7-(6-fluoro-3-oxo-1H-indol-2-ylidene)-3a,7a-dihydro-1,2-benzoxazol-6-one (PubChem CID 51353478) has the molecular formula C15H9FN2O3 and a molecular weight of 284.25 g/mol. Its IUPAC name is (7Z)-7-(6-fluoro-3-oxo-1H-indol-2-ylidene)-3a,7a-dihydro-1,2-benzoxazol-6-one.

Molecular Properties

Compound Name(7Z)-7-(6-fluoro-3-oxo-1H-indol-2-ylidene)-3a,7a-dihydro-1,2-benzoxazol-6-one
PubChem CID51353478
Molecular FormulaC15H9FN2O3
Molecular Weight284.25 g/mol
Exact Mass284.06
IUPAC Name(7Z)-7-(6-fluoro-3-oxo-1H-indol-2-ylidene)-3a,7a-dihydro-1,2-benzoxazol-6-one
SMILESO=C1C=CC2C=NOC2/C1=C1/Nc2cc(F)ccc2C1=O
InChIInChI=1S/C15H9FN2O3/c16-8-2-3-9-10(5-8)18-13(14(9)20)12-11(19)4-1-7-6-17-21-15(7)12/h1-7,15,18H/b13-12+
InChIKeyCAFMJQGIUAFRNE-OUKQBFOZSA-N
XLogP1.83
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (7Z)-7-(6-fluoro-3-oxo-1H-indol-2-ylidene)-3a,7a-dihydro-1,2-benzoxazol-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-2-methylidene-1H-indol-3-one
CID 129077498
7,15,23,31-tetrafluoro-2,10,18,26-tetraoxapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1(28),4(9),5,7,12(17),13,15,20(25),21,23,29,31-dodecaene-3,11,19,27-tetrone
CID 102202796
2-amino-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 142795120
benzene;5-fluoroisoindole-1,3-dione
CID 174849792
3-[(2,5-difluorophenyl)methylidene]-6-fluoro-1H-indol-2-one
CID 66640531
8-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-4-carboxylic acid
CID 82158832
5-fluoro-2-benzofuran-1,3-dione
CID 159746884
(3E)-3-(3-bromo-2H-furan-5-ylidene)-6-fluoro-1H-indol-2-one
CID 58926075
3-benzyl-8-fluoro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 54300452
6-fluoro-1H-indole-2,3-dione;methyl 6-fluoro-1H-indazole-3-carboxylate
CID 159968381
N-(2,2-dimethyl-4-oxo-3H-chromen-8-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 154850187
6-fluoro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
CID 11571897

Frequently Asked Questions

What is the IUPAC name of (7Z)-7-(6-fluoro-3-oxo-1H-indol-2-ylidene)-3a,7a-dihydro-1,2-benzoxazol-6-one?
The IUPAC name of (7Z)-7-(6-fluoro-3-oxo-1H-indol-2-ylidene)-3a,7a-dihydro-1,2-benzoxazol-6-one (CID 51353478) is (7Z)-7-(6-fluoro-3-oxo-1H-indol-2-ylidene)-3a,7a-dihydro-1,2-benzoxazol-6-one.
What is the SMILES notation for (7Z)-7-(6-fluoro-3-oxo-1H-indol-2-ylidene)-3a,7a-dihydro-1,2-benzoxazol-6-one?
The canonical SMILES for (7Z)-7-(6-fluoro-3-oxo-1H-indol-2-ylidene)-3a,7a-dihydro-1,2-benzoxazol-6-one is O=C1C=CC2C=NOC2/C1=C1/Nc2cc(F)ccc2C1=O.
What is the InChIKey of (7Z)-7-(6-fluoro-3-oxo-1H-indol-2-ylidene)-3a,7a-dihydro-1,2-benzoxazol-6-one?
The InChIKey is CAFMJQGIUAFRNE-OUKQBFOZSA-N. The full InChI is InChI=1S/C15H9FN2O3/c16-8-2-3-9-10(5-8)18-13(14(9)20)12-11(19)4-1-7-6-17-21-15(7)12/h1-7,15,18H/b13-12+.
What are the key properties of (7Z)-7-(6-fluoro-3-oxo-1H-indol-2-ylidene)-3a,7a-dihydro-1,2-benzoxazol-6-one?
(7Z)-7-(6-fluoro-3-oxo-1H-indol-2-ylidene)-3a,7a-dihydro-1,2-benzoxazol-6-one has a molecular weight of 284.25 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7-(6-fluoro-3-oxo-1H-indol-2-ylidene)-3a,7a-dihydro-1,2-benzoxazol-6-one is sourced from PubChem (CID 51353478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).