6-fluoro-7-methyl-3-nitroso-1,3-dihydroindol-2-one

C9H7FN2O2 — CID 90827714

IUPAC6-fluoro-7-methyl-3-nitroso-1,3-dihydroindol-2-one
SMILESCc1c(F)ccc2c1NC(=O)C2N=O
InChIInChI=1S/C9H7FN2O2/c1-4-6(10)3-2-5-7(4)11-9(13)8(5)12-14/h2-3,8H,1H3,(H,11,13)
InChIKeyMNKYBNPQDBNEEL-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.89
Rot. Bonds1

About 6-fluoro-7-methyl-3-nitroso-1,3-dihydroindol-2-one

6-fluoro-7-methyl-3-nitroso-1,3-dihydroindol-2-one (PubChem CID 90827714) has the molecular formula C9H7FN2O2 and a molecular weight of 194.16 g/mol. Its IUPAC name is 6-fluoro-7-methyl-3-nitroso-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-fluoro-7-methyl-3-nitroso-1,3-dihydroindol-2-one
PubChem CID90827714
Molecular FormulaC9H7FN2O2
Molecular Weight194.16 g/mol
Exact Mass194.05
IUPAC Name6-fluoro-7-methyl-3-nitroso-1,3-dihydroindol-2-one
SMILESCc1c(F)ccc2c1NC(=O)C2N=O
InChIInChI=1S/C9H7FN2O2/c1-4-6(10)3-2-5-7(4)11-9(13)8(5)12-14/h2-3,8H,1H3,(H,11,13)
InChIKeyMNKYBNPQDBNEEL-UHFFFAOYSA-N
XLogP1.89
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-8-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid
CID 114553193
3-amino-6,7-dimethyl-1,3-dihydroindol-2-one
CID 82018918
5-(2,3-dimethylphenyl)imidazolidine-2,4-dione
CID 62871197
(4S)-4-(2,3-difluorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 40645376
7-fluoro-8-methyl-1,2,3,4-tetrahydroquinolin-4-ol
CID 130863196
5-bromo-4-methyl-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one
CID 169499141
(4R)-4-(3-fluoro-2-methylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171187970
2-methylimino-5-nitroso-1,3-diazinane-4,6-dione
CID 136799162
7-ethyl-3-nitroso-5-phenyl-1,3,6,8-tetrahydropyrrolo[3,4-g]indol-2-one
CID 90855444
1-(3-fluoro-2-methylphenyl)-5-methyl-1,3-diazinane-2,4-dione
CID 79777386
7-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one
CID 106986686
5-bromo-8-methyl-3-nitroso-3,6,7,9-tetrahydro-1H-pyrrolo[3,2-h]isoquinolin-2-one
CID 91024732

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-methyl-3-nitroso-1,3-dihydroindol-2-one?
The IUPAC name of 6-fluoro-7-methyl-3-nitroso-1,3-dihydroindol-2-one (CID 90827714) is 6-fluoro-7-methyl-3-nitroso-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-fluoro-7-methyl-3-nitroso-1,3-dihydroindol-2-one?
The canonical SMILES for 6-fluoro-7-methyl-3-nitroso-1,3-dihydroindol-2-one is Cc1c(F)ccc2c1NC(=O)C2N=O.
What is the InChIKey of 6-fluoro-7-methyl-3-nitroso-1,3-dihydroindol-2-one?
The InChIKey is MNKYBNPQDBNEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c1-4-6(10)3-2-5-7(4)11-9(13)8(5)12-14/h2-3,8H,1H3,(H,11,13).
What are the key properties of 6-fluoro-7-methyl-3-nitroso-1,3-dihydroindol-2-one?
6-fluoro-7-methyl-3-nitroso-1,3-dihydroindol-2-one has a molecular weight of 194.16 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-methyl-3-nitroso-1,3-dihydroindol-2-one is sourced from PubChem (CID 90827714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).