5-fluoro-2',3'-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one

C12H12FNO — CID 58482281

IUPAC5-fluoro-2',3'-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCC1C(C)C12C(=O)Nc1ccc(F)cc12
InChIInChI=1S/C12H12FNO/c1-6-7(2)12(6)9-5-8(13)3-4-10(9)14-11(12)15/h3-7H,1-2H3,(H,14,15)
InChIKeyGLVGNIZQRZEVMQ-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.30
Rot. Bonds

About 5-fluoro-2',3'-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one

5-fluoro-2',3'-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 58482281) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 5-fluoro-2',3'-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name5-fluoro-2',3'-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID58482281
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name5-fluoro-2',3'-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCC1C(C)C12C(=O)Nc1ccc(F)cc12
InChIInChI=1S/C12H12FNO/c1-6-7(2)12(6)9-5-8(13)3-4-10(9)14-11(12)15/h3-7H,1-2H3,(H,14,15)
InChIKeyGLVGNIZQRZEVMQ-UHFFFAOYSA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2',3'-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of 5-fluoro-2',3'-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one (CID 58482281) is 5-fluoro-2',3'-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 5-fluoro-2',3'-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for 5-fluoro-2',3'-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one is CC1C(C)C12C(=O)Nc1ccc(F)cc12.
What is the InChIKey of 5-fluoro-2',3'-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is GLVGNIZQRZEVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c1-6-7(2)12(6)9-5-8(13)3-4-10(9)14-11(12)15/h3-7H,1-2H3,(H,14,15).
What are the key properties of 5-fluoro-2',3'-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one?
5-fluoro-2',3'-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 205.23 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2',3'-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 58482281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).