7-fluoro-3-piperidin-4-ylidene-1H-indol-2-one

C13H13FN2O — CID 82276621

IUPAC7-fluoro-3-piperidin-4-ylidene-1H-indol-2-one
SMILESO=C1Nc2c(F)cccc2C1=C1CCNCC1
InChIInChI=1S/C13H13FN2O/c14-10-3-1-2-9-11(13(17)16-12(9)10)8-4-6-15-7-5-8/h1-3,15H,4-7H2,(H,16,17)
InChIKeyFWDSAEZBWWGHNE-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.91
Rot. Bonds

About 7-fluoro-3-piperidin-4-ylidene-1H-indol-2-one

7-fluoro-3-piperidin-4-ylidene-1H-indol-2-one (PubChem CID 82276621) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 7-fluoro-3-piperidin-4-ylidene-1H-indol-2-one.

Molecular Properties

Compound Name7-fluoro-3-piperidin-4-ylidene-1H-indol-2-one
PubChem CID82276621
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name7-fluoro-3-piperidin-4-ylidene-1H-indol-2-one
SMILESO=C1Nc2c(F)cccc2C1=C1CCNCC1
InChIInChI=1S/C13H13FN2O/c14-10-3-1-2-9-11(13(17)16-12(9)10)8-4-6-15-7-5-8/h1-3,15H,4-7H2,(H,16,17)
InChIKeyFWDSAEZBWWGHNE-UHFFFAOYSA-N
XLogP1.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
CID 79290409
7-fluorospiro[1H-indole-3,4'-piperidine]-2-one
CID 84623509
7-fluoro-3-(4,5,6,7-tetrahydro-1H-indol-3-ylmethylidene)-1H-indol-2-one
CID 57198727
8-fluoro-3-piperidin-4-yl-1,4-dihydroquinazolin-2-one;hydrochloride
CID 68825666
9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 138736880
(3E)-3-[(2,5-dihydroxyphenyl)methylidene]-7-fluoro-1H-indol-2-one
CID 143061978
8-fluoro-3-hydroxy-3-phenyl-1H-quinoline-2,4-dione
CID 2786500
4-fluoro-2-(piperidin-4-ylmethyl)isoindole-1,3-dione
CID 22247872
5-fluoro-2-piperidin-4-yl-3,4-dihydroisoquinolin-1-one
CID 175840619
(3Z)-3-(2-oxopyrrolidin-3-ylidene)-1H-indol-2-one
CID 10353181
6-fluoro-4,4-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepine
CID 130526508
4-fluoro-2-(piperidin-4-ylmethyl)isoindole-1,3-dione;hydrochloride
CID 22247871

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-piperidin-4-ylidene-1H-indol-2-one?
The IUPAC name of 7-fluoro-3-piperidin-4-ylidene-1H-indol-2-one (CID 82276621) is 7-fluoro-3-piperidin-4-ylidene-1H-indol-2-one.
What is the SMILES notation for 7-fluoro-3-piperidin-4-ylidene-1H-indol-2-one?
The canonical SMILES for 7-fluoro-3-piperidin-4-ylidene-1H-indol-2-one is O=C1Nc2c(F)cccc2C1=C1CCNCC1.
What is the InChIKey of 7-fluoro-3-piperidin-4-ylidene-1H-indol-2-one?
The InChIKey is FWDSAEZBWWGHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c14-10-3-1-2-9-11(13(17)16-12(9)10)8-4-6-15-7-5-8/h1-3,15H,4-7H2,(H,16,17).
What are the key properties of 7-fluoro-3-piperidin-4-ylidene-1H-indol-2-one?
7-fluoro-3-piperidin-4-ylidene-1H-indol-2-one has a molecular weight of 232.26 g/mol, XLogP of 1.91, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-piperidin-4-ylidene-1H-indol-2-one is sourced from PubChem (CID 82276621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).