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

C13H17FN2O — CID 114999710

IUPAC3-amino-6-fluoro-1-(2-methylbutyl)-3H-indol-2-one
SMILESCCC(C)CN1C(=O)C(N)c2ccc(F)cc21
InChIInChI=1S/C13H17FN2O/c1-3-8(2)7-16-11-6-9(14)4-5-10(11)12(15)13(16)17/h4-6,8,12H,3,7,15H2,1-2H3
InChIKeyWQAQOXOUBPNZCR-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.22
Rot. Bonds3

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

3-amino-6-fluoro-1-(2-methylbutyl)-3H-indol-2-one (PubChem CID 114999710) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-amino-6-fluoro-1-(2-methylbutyl)-3H-indol-2-one.

Molecular Properties

Compound Name3-amino-6-fluoro-1-(2-methylbutyl)-3H-indol-2-one
PubChem CID114999710
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name3-amino-6-fluoro-1-(2-methylbutyl)-3H-indol-2-one
SMILESCCC(C)CN1C(=O)C(N)c2ccc(F)cc21
InChIInChI=1S/C13H17FN2O/c1-3-8(2)7-16-11-6-9(14)4-5-10(11)12(15)13(16)17/h4-6,8,12H,3,7,15H2,1-2H3
InChIKeyWQAQOXOUBPNZCR-UHFFFAOYSA-N
XLogP2.22
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-fluoro-1-(2-methylbutyl)-3H-indol-2-one?
The IUPAC name of 3-amino-6-fluoro-1-(2-methylbutyl)-3H-indol-2-one (CID 114999710) is 3-amino-6-fluoro-1-(2-methylbutyl)-3H-indol-2-one.
What is the SMILES notation for 3-amino-6-fluoro-1-(2-methylbutyl)-3H-indol-2-one?
The canonical SMILES for 3-amino-6-fluoro-1-(2-methylbutyl)-3H-indol-2-one is CCC(C)CN1C(=O)C(N)c2ccc(F)cc21.
What is the InChIKey of 3-amino-6-fluoro-1-(2-methylbutyl)-3H-indol-2-one?
The InChIKey is WQAQOXOUBPNZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-3-8(2)7-16-11-6-9(14)4-5-10(11)12(15)13(16)17/h4-6,8,12H,3,7,15H2,1-2H3.
What are the key properties of 3-amino-6-fluoro-1-(2-methylbutyl)-3H-indol-2-one?
3-amino-6-fluoro-1-(2-methylbutyl)-3H-indol-2-one has a molecular weight of 236.29 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-fluoro-1-(2-methylbutyl)-3H-indol-2-one is sourced from PubChem (CID 114999710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).