6-amino-7-fluoro-1,3,3-trimethyl-3a,4-dihydroindol-2-one

C11H15FN2O — CID 141394956

IUPAC6-amino-7-fluoro-1,3,3-trimethyl-3a,4-dihydroindol-2-one
SMILESCN1C(=O)C(C)(C)C2CC=C(N)C(F)=C21
InChIInChI=1S/C11H15FN2O/c1-11(2)6-4-5-7(13)8(12)9(6)14(3)10(11)15/h5-6H,4,13H2,1-3H3
InChIKeyHKYXYJLYJPZFLM-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.53
Rot. Bonds

About 6-amino-7-fluoro-1,3,3-trimethyl-3a,4-dihydroindol-2-one

6-amino-7-fluoro-1,3,3-trimethyl-3a,4-dihydroindol-2-one (PubChem CID 141394956) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 6-amino-7-fluoro-1,3,3-trimethyl-3a,4-dihydroindol-2-one.

Molecular Properties

Compound Name6-amino-7-fluoro-1,3,3-trimethyl-3a,4-dihydroindol-2-one
PubChem CID141394956
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name6-amino-7-fluoro-1,3,3-trimethyl-3a,4-dihydroindol-2-one
SMILESCN1C(=O)C(C)(C)C2CC=C(N)C(F)=C21
InChIInChI=1S/C11H15FN2O/c1-11(2)6-4-5-7(13)8(12)9(6)14(3)10(11)15/h5-6H,4,13H2,1-3H3
InChIKeyHKYXYJLYJPZFLM-UHFFFAOYSA-N
XLogP1.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-amino-7-fluoro-1,3,3-trimethyl-3a,4-dihydroindol-2-one?
The IUPAC name of 6-amino-7-fluoro-1,3,3-trimethyl-3a,4-dihydroindol-2-one (CID 141394956) is 6-amino-7-fluoro-1,3,3-trimethyl-3a,4-dihydroindol-2-one.
What is the SMILES notation for 6-amino-7-fluoro-1,3,3-trimethyl-3a,4-dihydroindol-2-one?
The canonical SMILES for 6-amino-7-fluoro-1,3,3-trimethyl-3a,4-dihydroindol-2-one is CN1C(=O)C(C)(C)C2CC=C(N)C(F)=C21.
What is the InChIKey of 6-amino-7-fluoro-1,3,3-trimethyl-3a,4-dihydroindol-2-one?
The InChIKey is HKYXYJLYJPZFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-11(2)6-4-5-7(13)8(12)9(6)14(3)10(11)15/h5-6H,4,13H2,1-3H3.
What are the key properties of 6-amino-7-fluoro-1,3,3-trimethyl-3a,4-dihydroindol-2-one?
6-amino-7-fluoro-1,3,3-trimethyl-3a,4-dihydroindol-2-one has a molecular weight of 210.25 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-fluoro-1,3,3-trimethyl-3a,4-dihydroindol-2-one is sourced from PubChem (CID 141394956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).