2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone

C14H17FN2O — CID 119312882

IUPAC2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone
SMILESNCC(=O)N1CC2(CCCC2)c2c(F)cccc21
InChIInChI=1S/C14H17FN2O/c15-10-4-3-5-11-13(10)14(6-1-2-7-14)9-17(11)12(18)8-16/h3-5H,1-2,6-9,16H2
InChIKeyAYYYXUZOMWEQCV-UHFFFAOYSA-N
MW248.30 g/mol
LogP1.94
Rot. Bonds1

About 2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone

2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone (PubChem CID 119312882) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone
PubChem CID119312882
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone
SMILESNCC(=O)N1CC2(CCCC2)c2c(F)cccc21
InChIInChI=1S/C14H17FN2O/c15-10-4-3-5-11-13(10)14(6-1-2-7-14)9-17(11)12(18)8-16/h3-5H,1-2,6-9,16H2
InChIKeyAYYYXUZOMWEQCV-UHFFFAOYSA-N
XLogP1.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone?
The IUPAC name of 2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone (CID 119312882) is 2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone.
What is the SMILES notation for 2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone?
The canonical SMILES for 2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone is NCC(=O)N1CC2(CCCC2)c2c(F)cccc21.
What is the InChIKey of 2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone?
The InChIKey is AYYYXUZOMWEQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c15-10-4-3-5-11-13(10)14(6-1-2-7-14)9-17(11)12(18)8-16/h3-5H,1-2,6-9,16H2.
What are the key properties of 2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone?
2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone has a molecular weight of 248.30 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone is sourced from PubChem (CID 119312882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).