5-(2-aminoacetyl)-1,3,3-trimethylindol-2-one

C13H16N2O2 — CID 82495676

IUPAC5-(2-aminoacetyl)-1,3,3-trimethylindol-2-one
SMILESCN1C(=O)C(C)(C)c2cc(C(=O)CN)ccc21
InChIInChI=1S/C13H16N2O2/c1-13(2)9-6-8(11(16)7-14)4-5-10(9)15(3)12(13)17/h4-6H,7,14H2,1-3H3
InChIKeyDSURGFPQAHKBNN-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.08
Rot. Bonds2

About 5-(2-aminoacetyl)-1,3,3-trimethylindol-2-one

5-(2-aminoacetyl)-1,3,3-trimethylindol-2-one (PubChem CID 82495676) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-(2-aminoacetyl)-1,3,3-trimethylindol-2-one.

Molecular Properties

Compound Name5-(2-aminoacetyl)-1,3,3-trimethylindol-2-one
PubChem CID82495676
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name5-(2-aminoacetyl)-1,3,3-trimethylindol-2-one
SMILESCN1C(=O)C(C)(C)c2cc(C(=O)CN)ccc21
InChIInChI=1S/C13H16N2O2/c1-13(2)9-6-8(11(16)7-14)4-5-10(9)15(3)12(13)17/h4-6H,7,14H2,1-3H3
InChIKeyDSURGFPQAHKBNN-UHFFFAOYSA-N
XLogP1.08
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoacetyl)-1,3,3-trimethylindol-2-one?
The IUPAC name of 5-(2-aminoacetyl)-1,3,3-trimethylindol-2-one (CID 82495676) is 5-(2-aminoacetyl)-1,3,3-trimethylindol-2-one.
What is the SMILES notation for 5-(2-aminoacetyl)-1,3,3-trimethylindol-2-one?
The canonical SMILES for 5-(2-aminoacetyl)-1,3,3-trimethylindol-2-one is CN1C(=O)C(C)(C)c2cc(C(=O)CN)ccc21.
What is the InChIKey of 5-(2-aminoacetyl)-1,3,3-trimethylindol-2-one?
The InChIKey is DSURGFPQAHKBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-13(2)9-6-8(11(16)7-14)4-5-10(9)15(3)12(13)17/h4-6H,7,14H2,1-3H3.
What are the key properties of 5-(2-aminoacetyl)-1,3,3-trimethylindol-2-one?
5-(2-aminoacetyl)-1,3,3-trimethylindol-2-one has a molecular weight of 232.28 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoacetyl)-1,3,3-trimethylindol-2-one is sourced from PubChem (CID 82495676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).