3-(2-aminoethyl)indol-2-one

C10H10N2O — CID 86769186

IUPAC3-(2-aminoethyl)indol-2-one
SMILESNCCC1=c2ccccc2=NC1=O
InChIInChI=1S/C10H10N2O/c11-6-5-8-7-3-1-2-4-9(7)12-10(8)13/h1-4H,5-6,11H2
InChIKeyRKTJMWWGYCIAND-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.65
Rot. Bonds2

About 3-(2-aminoethyl)indol-2-one

3-(2-aminoethyl)indol-2-one (PubChem CID 86769186) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-(2-aminoethyl)indol-2-one.

Molecular Properties

Compound Name3-(2-aminoethyl)indol-2-one
PubChem CID86769186
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name3-(2-aminoethyl)indol-2-one
SMILESNCCC1=c2ccccc2=NC1=O
InChIInChI=1S/C10H10N2O/c11-6-5-8-7-3-1-2-4-9(7)12-10(8)13/h1-4H,5-6,11H2
InChIKeyRKTJMWWGYCIAND-UHFFFAOYSA-N
XLogP-0.65
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)indol-2-one?
The IUPAC name of 3-(2-aminoethyl)indol-2-one (CID 86769186) is 3-(2-aminoethyl)indol-2-one.
What is the SMILES notation for 3-(2-aminoethyl)indol-2-one?
The canonical SMILES for 3-(2-aminoethyl)indol-2-one is NCCC1=c2ccccc2=NC1=O.
What is the InChIKey of 3-(2-aminoethyl)indol-2-one?
The InChIKey is RKTJMWWGYCIAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c11-6-5-8-7-3-1-2-4-9(7)12-10(8)13/h1-4H,5-6,11H2.
What are the key properties of 3-(2-aminoethyl)indol-2-one?
3-(2-aminoethyl)indol-2-one has a molecular weight of 174.20 g/mol, XLogP of -0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)indol-2-one is sourced from PubChem (CID 86769186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).