7-fluoro-3-hydroxyimino-3a,4-dihydro-1H-indol-2-one

C8H7FN2O2 — CID 141228715

IUPAC7-fluoro-3-hydroxyimino-3a,4-dihydro-1H-indol-2-one
SMILESO=C1NC2=C(F)C=CCC2C1=NO
InChIInChI=1S/C8H7FN2O2/c9-5-3-1-2-4-6(5)10-8(12)7(4)11-13/h1,3-4,13H,2H2,(H,10,12)
InChIKeyHEDUWDPABDFLHI-UHFFFAOYSA-N
MW182.15 g/mol
LogP0.70
Rot. Bonds

About 7-fluoro-3-hydroxyimino-3a,4-dihydro-1H-indol-2-one

7-fluoro-3-hydroxyimino-3a,4-dihydro-1H-indol-2-one (PubChem CID 141228715) has the molecular formula C8H7FN2O2 and a molecular weight of 182.15 g/mol. Its IUPAC name is 7-fluoro-3-hydroxyimino-3a,4-dihydro-1H-indol-2-one.

Molecular Properties

Compound Name7-fluoro-3-hydroxyimino-3a,4-dihydro-1H-indol-2-one
PubChem CID141228715
Molecular FormulaC8H7FN2O2
Molecular Weight182.15 g/mol
Exact Mass182.05
IUPAC Name7-fluoro-3-hydroxyimino-3a,4-dihydro-1H-indol-2-one
SMILESO=C1NC2=C(F)C=CCC2C1=NO
InChIInChI=1S/C8H7FN2O2/c9-5-3-1-2-4-6(5)10-8(12)7(4)11-13/h1,3-4,13H,2H2,(H,10,12)
InChIKeyHEDUWDPABDFLHI-UHFFFAOYSA-N
XLogP0.70
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-fluoro-3-hydroxyimino-3a,4-dihydro-1H-indol-2-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

1,2,6-trifluorocyclohexa-1,3-diene
CID 66828021
(6E,7R)-7-amino-6-hydroxyimino-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 137048080
6-bromo-7-methyl-3a,4-dihydro-1H-indole-2,3-dione
CID 141394927
3-azabicyclo[3.2.1]oct-1(7)-ene-2,4-dione
CID 54121372
1,2-difluoro-6-methoxycyclohexa-1,3-diene
CID 177218199
5-fluoro-4-(hydroxyamino)-6-hydroxyimino-1,3-diazinan-2-one
CID 135428254
3-(4-fluorophenyl)-3,4-dihydropyran-2-one
CID 141270392
(4S,5R)-5-fluoro-4-(hydroxyamino)-6-hydroxyimino-1,3-diazinan-2-one
CID 136828471
(2S)-6-oxo-2,3-dihydro-1H-pyridine-2-carboxylic acid
CID 15233514
1-ethyl-2,6-difluorocyclohexa-1,3-diene
CID 91510667
2,3,4a,5,8,8a-hexahydrophthalazine-1,4-dione
CID 4519986
(1R,7S)-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione
CID 57196131

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-hydroxyimino-3a,4-dihydro-1H-indol-2-one?
The IUPAC name of 7-fluoro-3-hydroxyimino-3a,4-dihydro-1H-indol-2-one (CID 141228715) is 7-fluoro-3-hydroxyimino-3a,4-dihydro-1H-indol-2-one.
What is the SMILES notation for 7-fluoro-3-hydroxyimino-3a,4-dihydro-1H-indol-2-one?
The canonical SMILES for 7-fluoro-3-hydroxyimino-3a,4-dihydro-1H-indol-2-one is O=C1NC2=C(F)C=CCC2C1=NO.
What is the InChIKey of 7-fluoro-3-hydroxyimino-3a,4-dihydro-1H-indol-2-one?
The InChIKey is HEDUWDPABDFLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O2/c9-5-3-1-2-4-6(5)10-8(12)7(4)11-13/h1,3-4,13H,2H2,(H,10,12).
What are the key properties of 7-fluoro-3-hydroxyimino-3a,4-dihydro-1H-indol-2-one?
7-fluoro-3-hydroxyimino-3a,4-dihydro-1H-indol-2-one has a molecular weight of 182.15 g/mol, XLogP of 0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-hydroxyimino-3a,4-dihydro-1H-indol-2-one is sourced from PubChem (CID 141228715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).