6-(2-aminoethyl)indol-2-one

C10H10N2O — CID 170557930

IUPAC6-(2-aminoethyl)indol-2-one
SMILESNCCc1ccc2c(c1)=NC(=O)C=2
InChIInChI=1S/C10H10N2O/c11-4-3-7-1-2-8-6-10(13)12-9(8)5-7/h1-2,5-6H,3-4,11H2
InChIKeyAXJBCSCCMSOEJQ-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.87
Rot. Bonds2

About 6-(2-aminoethyl)indol-2-one

6-(2-aminoethyl)indol-2-one (PubChem CID 170557930) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 6-(2-aminoethyl)indol-2-one.

Molecular Properties

Compound Name6-(2-aminoethyl)indol-2-one
PubChem CID170557930
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name6-(2-aminoethyl)indol-2-one
SMILESNCCc1ccc2c(c1)=NC(=O)C=2
InChIInChI=1S/C10H10N2O/c11-4-3-7-1-2-8-6-10(13)12-9(8)5-7/h1-2,5-6H,3-4,11H2
InChIKeyAXJBCSCCMSOEJQ-UHFFFAOYSA-N
XLogP-0.87
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 ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)indol-2-one?
The IUPAC name of 6-(2-aminoethyl)indol-2-one (CID 170557930) is 6-(2-aminoethyl)indol-2-one.
What is the SMILES notation for 6-(2-aminoethyl)indol-2-one?
The canonical SMILES for 6-(2-aminoethyl)indol-2-one is NCCc1ccc2c(c1)=NC(=O)C=2.
What is the InChIKey of 6-(2-aminoethyl)indol-2-one?
The InChIKey is AXJBCSCCMSOEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c11-4-3-7-1-2-8-6-10(13)12-9(8)5-7/h1-2,5-6H,3-4,11H2.
What are the key properties of 6-(2-aminoethyl)indol-2-one?
6-(2-aminoethyl)indol-2-one has a molecular weight of 174.20 g/mol, XLogP of -0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)indol-2-one is sourced from PubChem (CID 170557930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).