(3S)-3-amino-6-fluoro-3-methyl-1H-indol-2-one

C9H9FN2O — CID 130731291

IUPAC(3S)-3-amino-6-fluoro-3-methyl-1H-indol-2-one
SMILESC[C@@]1(N)C(=O)Nc2cc(F)ccc21
InChIInChI=1S/C9H9FN2O/c1-9(11)6-3-2-5(10)4-7(6)12-8(9)13/h2-4H,11H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyGLZHGZDMPGATPB-VIFPVBQESA-N
MW180.18 g/mol
LogP0.95
Rot. Bonds

About (3S)-3-amino-6-fluoro-3-methyl-1H-indol-2-one

(3S)-3-amino-6-fluoro-3-methyl-1H-indol-2-one (PubChem CID 130731291) has the molecular formula C9H9FN2O and a molecular weight of 180.18 g/mol. Its IUPAC name is (3S)-3-amino-6-fluoro-3-methyl-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-amino-6-fluoro-3-methyl-1H-indol-2-one
PubChem CID130731291
Molecular FormulaC9H9FN2O
Molecular Weight180.18 g/mol
Exact Mass180.07
IUPAC Name(3S)-3-amino-6-fluoro-3-methyl-1H-indol-2-one
SMILESC[C@@]1(N)C(=O)Nc2cc(F)ccc21
InChIInChI=1S/C9H9FN2O/c1-9(11)6-3-2-5(10)4-7(6)12-8(9)13/h2-4H,11H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyGLZHGZDMPGATPB-VIFPVBQESA-N
XLogP0.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-6-fluoro-3-methyl-1H-indol-2-one
CID 130059248
6-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one
CID 72698788
6-fluorospiro[1H-indole-3,1'-cyclopentane]-2-one
CID 67232508
6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one
CID 69159711
4'-amino-6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one
CID 84627749
3-amino-3-methyl-1H-pyrrolo[2,3-c]pyridin-2-one
CID 163274537
7-fluoro-3,3,4,4-tetramethyl-1,5-dihydro-1,5-benzodiazepin-2-one
CID 79291567
6-fluoro-3',6'-dimethylspiro[1H-indole-3,9'-xanthene]-2-one
CID 14616674
(3S)-3-amino-3-methyl-5-(4-methylphenyl)-1H-indol-2-one
CID 125448878
6-fluoro-3,3-bis(6-fluoro-1H-indol-3-yl)-1H-indol-2-one
CID 102096954
4,4-diethyl-7-fluoro-1H-3,1-benzoxazin-2-one
CID 141197906
(3R)-3-amino-6-bromo-3,7-dimethyl-1H-indol-2-one
CID 130649300

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-6-fluoro-3-methyl-1H-indol-2-one?
The IUPAC name of (3S)-3-amino-6-fluoro-3-methyl-1H-indol-2-one (CID 130731291) is (3S)-3-amino-6-fluoro-3-methyl-1H-indol-2-one.
What is the SMILES notation for (3S)-3-amino-6-fluoro-3-methyl-1H-indol-2-one?
The canonical SMILES for (3S)-3-amino-6-fluoro-3-methyl-1H-indol-2-one is C[C@@]1(N)C(=O)Nc2cc(F)ccc21.
What is the InChIKey of (3S)-3-amino-6-fluoro-3-methyl-1H-indol-2-one?
The InChIKey is GLZHGZDMPGATPB-VIFPVBQESA-N. The full InChI is InChI=1S/C9H9FN2O/c1-9(11)6-3-2-5(10)4-7(6)12-8(9)13/h2-4H,11H2,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (3S)-3-amino-6-fluoro-3-methyl-1H-indol-2-one?
(3S)-3-amino-6-fluoro-3-methyl-1H-indol-2-one has a molecular weight of 180.18 g/mol, XLogP of 0.95, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-6-fluoro-3-methyl-1H-indol-2-one is sourced from PubChem (CID 130731291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).