(3S)-3-amino-1-cyclopentyl-5-fluoro-3H-indol-2-one

C13H15FN2O — CID 98081143

IUPAC(3S)-3-amino-1-cyclopentyl-5-fluoro-3H-indol-2-one
SMILESN[C@@H]1C(=O)N(C2CCCC2)c2ccc(F)cc21
InChIInChI=1S/C13H15FN2O/c14-8-5-6-11-10(7-8)12(15)13(17)16(11)9-3-1-2-4-9/h5-7,9,12H,1-4,15H2/t12-/m0/s1
InChIKeyJURVBVFQBLFRLX-LBPRGKRZSA-N
MW234.27 g/mol
LogP2.11
Rot. Bonds1

About (3S)-3-amino-1-cyclopentyl-5-fluoro-3H-indol-2-one

(3S)-3-amino-1-cyclopentyl-5-fluoro-3H-indol-2-one (PubChem CID 98081143) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is (3S)-3-amino-1-cyclopentyl-5-fluoro-3H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-amino-1-cyclopentyl-5-fluoro-3H-indol-2-one
PubChem CID98081143
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name(3S)-3-amino-1-cyclopentyl-5-fluoro-3H-indol-2-one
SMILESN[C@@H]1C(=O)N(C2CCCC2)c2ccc(F)cc21
InChIInChI=1S/C13H15FN2O/c14-8-5-6-11-10(7-8)12(15)13(17)16(11)9-3-1-2-4-9/h5-7,9,12H,1-4,15H2/t12-/m0/s1
InChIKeyJURVBVFQBLFRLX-LBPRGKRZSA-N
XLogP2.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-1-cyclopentyl-5-fluoro-3H-indol-2-one
CID 51441516
3-amino-1-cyclopentyl-5-fluoro-3H-indol-2-one;hydrochloride
CID 71432476
(2R,3S)-3-amino-5-cyclohexyl-2-(2,5-difluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-one
CID 68916614
N-[1-(1-cyclohexylpiperidin-4-yl)-5-fluoro-2-oxo-3H-indol-3-yl]-2-methylpropanamide
CID 134578397
1-cyclopentyl-6-fluoro-3,4-dihydroquinoxalin-2-one
CID 105494352
3-amino-5-fluoro-1-[(4-fluorophenyl)methyl]-3H-indol-2-one;hydrochloride
CID 71432564
2-[1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-5-fluoro-2-oxo-3H-indol-3-yl]acetamide
CID 134563441
3-amino-5-fluoro-1-octyl-3H-indol-2-one
CID 43254783
2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 43254761
9-(2,4-difluorophenyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 55105976
(3R)-3-amino-1-[(3,4-dichlorophenyl)methyl]-5-fluoro-3H-indol-2-one
CID 51441524
7-amino-4-cyclopentyl-2-methyl-1,4-benzothiazin-3-one
CID 84615562

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-cyclopentyl-5-fluoro-3H-indol-2-one?
The IUPAC name of (3S)-3-amino-1-cyclopentyl-5-fluoro-3H-indol-2-one (CID 98081143) is (3S)-3-amino-1-cyclopentyl-5-fluoro-3H-indol-2-one.
What is the SMILES notation for (3S)-3-amino-1-cyclopentyl-5-fluoro-3H-indol-2-one?
The canonical SMILES for (3S)-3-amino-1-cyclopentyl-5-fluoro-3H-indol-2-one is N[C@@H]1C(=O)N(C2CCCC2)c2ccc(F)cc21.
What is the InChIKey of (3S)-3-amino-1-cyclopentyl-5-fluoro-3H-indol-2-one?
The InChIKey is JURVBVFQBLFRLX-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H15FN2O/c14-8-5-6-11-10(7-8)12(15)13(17)16(11)9-3-1-2-4-9/h5-7,9,12H,1-4,15H2/t12-/m0/s1.
What are the key properties of (3S)-3-amino-1-cyclopentyl-5-fluoro-3H-indol-2-one?
(3S)-3-amino-1-cyclopentyl-5-fluoro-3H-indol-2-one has a molecular weight of 234.27 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-cyclopentyl-5-fluoro-3H-indol-2-one is sourced from PubChem (CID 98081143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).