7-(ethylamino)-5-fluoro-3,3-dimethyl-1H-indol-2-one

C12H15FN2O — CID 166132723

IUPAC7-(ethylamino)-5-fluoro-3,3-dimethyl-1H-indol-2-one
SMILESCCNc1cc(F)cc2c1NC(=O)C2(C)C
InChIInChI=1S/C12H15FN2O/c1-4-14-9-6-7(13)5-8-10(9)15-11(16)12(8,2)3/h5-6,14H,4H2,1-3H3,(H,15,16)
InChIKeyUCVDSHWXXHVEEM-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.49
Rot. Bonds2

About 7-(ethylamino)-5-fluoro-3,3-dimethyl-1H-indol-2-one

7-(ethylamino)-5-fluoro-3,3-dimethyl-1H-indol-2-one (PubChem CID 166132723) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 7-(ethylamino)-5-fluoro-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name7-(ethylamino)-5-fluoro-3,3-dimethyl-1H-indol-2-one
PubChem CID166132723
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name7-(ethylamino)-5-fluoro-3,3-dimethyl-1H-indol-2-one
SMILESCCNc1cc(F)cc2c1NC(=O)C2(C)C
InChIInChI=1S/C12H15FN2O/c1-4-14-9-6-7(13)5-8-10(9)15-11(16)12(8,2)3/h5-6,14H,4H2,1-3H3,(H,15,16)
InChIKeyUCVDSHWXXHVEEM-UHFFFAOYSA-N
XLogP2.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(ethylamino)-5-fluoro-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 7-(ethylamino)-5-fluoro-3,3-dimethyl-1H-indol-2-one (CID 166132723) is 7-(ethylamino)-5-fluoro-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 7-(ethylamino)-5-fluoro-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 7-(ethylamino)-5-fluoro-3,3-dimethyl-1H-indol-2-one is CCNc1cc(F)cc2c1NC(=O)C2(C)C.
What is the InChIKey of 7-(ethylamino)-5-fluoro-3,3-dimethyl-1H-indol-2-one?
The InChIKey is UCVDSHWXXHVEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-4-14-9-6-7(13)5-8-10(9)15-11(16)12(8,2)3/h5-6,14H,4H2,1-3H3,(H,15,16).
What are the key properties of 7-(ethylamino)-5-fluoro-3,3-dimethyl-1H-indol-2-one?
7-(ethylamino)-5-fluoro-3,3-dimethyl-1H-indol-2-one has a molecular weight of 222.26 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(ethylamino)-5-fluoro-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 166132723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).