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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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).