6'-amino-4'-fluoro-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one

C11H11FN2O — CID 176997437

IUPAC6'-amino-4'-fluoro-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
SMILESCN1C(=O)C2(CC2)c2c(F)cc(N)cc21
InChIInChI=1S/C11H11FN2O/c1-14-8-5-6(13)4-7(12)9(8)11(2-3-11)10(14)15/h4-5H,2-3,13H2,1H3
InChIKeyRYVNPPDWSALZOZ-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.42
Rot. Bonds

About 6'-amino-4'-fluoro-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one

6'-amino-4'-fluoro-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one (PubChem CID 176997437) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 6'-amino-4'-fluoro-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one.

Molecular Properties

Compound Name6'-amino-4'-fluoro-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
PubChem CID176997437
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name6'-amino-4'-fluoro-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
SMILESCN1C(=O)C2(CC2)c2c(F)cc(N)cc21
InChIInChI=1S/C11H11FN2O/c1-14-8-5-6(13)4-7(12)9(8)11(2-3-11)10(14)15/h4-5H,2-3,13H2,1H3
InChIKeyRYVNPPDWSALZOZ-UHFFFAOYSA-N
XLogP1.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-Dimethyl-1,3-dihydro-indol-2-one
CID 313100
Spiro(indoline-3,4'-piperidin)-2-one, 1'-ethyl-
CID 3042076
1-Acetyl-6-aminoindoline
CID 258564
3-ethyl-3-[4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indol-2-one
CID 11524003
3,3-diethyl-2,3-dihydro-1H-indol-2-one
CID 15153221
1'-[(1R)-1-(3-fluorophenyl)-3-(methylamino)propyl]spiro[cyclohexane-1,3'-indol]-2'(1'H)-one
CID 16067546
(R)-7-fluoro-1-(1-(3-fluorophenyl)-3-(methylamino)propyl)-3,3-dimethylindolin-2-one
CID 16067547
(R)-3,3-dimethyl-1-(3-(methylamino)-1-phenylpropyl)indolin-2-one
CID 16067550
(R)-7-fluoro-3,3-dimethyl-1-(3-(methylamino)-1-phenylpropyl)indolin-2-one
CID 16067551
(R)-1-(1-(3,5-difluorophenyl)-3-(methylamino)propyl)-7-fluoro-3,3-dimethylindolin-2-one
CID 16067840
1'-Methylspiro[indoline-3,3'-pyrrolidin]-2-one
CID 10932530
Spiro(indoline-3,3'-pyrrolidin)-2-one, 1'-ethyl-
CID 3042071

Frequently Asked Questions

What is the IUPAC name of 6'-amino-4'-fluoro-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one?
The IUPAC name of 6'-amino-4'-fluoro-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one (CID 176997437) is 6'-amino-4'-fluoro-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one.
What is the SMILES notation for 6'-amino-4'-fluoro-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one?
The canonical SMILES for 6'-amino-4'-fluoro-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one is CN1C(=O)C2(CC2)c2c(F)cc(N)cc21.
What is the InChIKey of 6'-amino-4'-fluoro-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one?
The InChIKey is RYVNPPDWSALZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-14-8-5-6(13)4-7(12)9(8)11(2-3-11)10(14)15/h4-5H,2-3,13H2,1H3.
What are the key properties of 6'-amino-4'-fluoro-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one?
6'-amino-4'-fluoro-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one has a molecular weight of 206.22 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-amino-4'-fluoro-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one is sourced from PubChem (CID 176997437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).