5-(2-aminoethyl)-1-ethyl-3H-indol-2-one

C12H16N2O — CID 82190443

IUPAC5-(2-aminoethyl)-1-ethyl-3H-indol-2-one
SMILESCCN1C(=O)Cc2cc(CCN)ccc21
InChIInChI=1S/C12H16N2O/c1-2-14-11-4-3-9(5-6-13)7-10(11)8-12(14)15/h3-4,7H,2,5-6,8,13H2,1H3
InChIKeyJYYDPUNYXUTEDO-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.10
Rot. Bonds3

About 5-(2-aminoethyl)-1-ethyl-3H-indol-2-one

5-(2-aminoethyl)-1-ethyl-3H-indol-2-one (PubChem CID 82190443) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 5-(2-aminoethyl)-1-ethyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-1-ethyl-3H-indol-2-one
PubChem CID82190443
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name5-(2-aminoethyl)-1-ethyl-3H-indol-2-one
SMILESCCN1C(=O)Cc2cc(CCN)ccc21
InChIInChI=1S/C12H16N2O/c1-2-14-11-4-3-9(5-6-13)7-10(11)8-12(14)15/h3-4,7H,2,5-6,8,13H2,1H3
InChIKeyJYYDPUNYXUTEDO-UHFFFAOYSA-N
XLogP1.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2-aminoethyl)-1-ethyl-3H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-aminoethyl)-1-(aminomethyl)-3H-indol-2-one
CID 115226042
5-(2-aminoethyl)-1-(2,2,2-trifluoroethyl)-3H-indol-2-one
CID 115258033
5-(2-aminoethyl)-1-(3-hydroxypropyl)-3H-indol-2-one
CID 115217029
5-(2-aminoethyl)-1-(4-aminopentyl)-3H-indol-2-one
CID 115204017
5-(2-aminoethyl)-1-(3-aminopropanoyl)-3H-indol-2-one
CID 115152987
5-(2-aminoethyl)-2-oxo-3H-indole-1-carbothioic S-acid
CID 115170266
1-ethyl-5-(methylamino)-3H-indol-2-one
CID 82551072
5-ethyl-1-prop-2-ynyl-3H-indol-2-one
CID 84758468
5-(2-aminoethyl)-1-(3-hydroxypropanoyl)-3H-indol-2-one
CID 115139297
1-(3-aminobutanoyl)-5-(2-aminoethyl)-3H-indol-2-one
CID 115154334
1-ethyl-5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-3H-indol-2-one
CID 14581412
5-amino-1-ethyl-3H-indol-2-one;1-ethyl-5-nitro-3H-indol-2-one
CID 162255854

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-1-ethyl-3H-indol-2-one?
The IUPAC name of 5-(2-aminoethyl)-1-ethyl-3H-indol-2-one (CID 82190443) is 5-(2-aminoethyl)-1-ethyl-3H-indol-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-1-ethyl-3H-indol-2-one?
The canonical SMILES for 5-(2-aminoethyl)-1-ethyl-3H-indol-2-one is CCN1C(=O)Cc2cc(CCN)ccc21.
What is the InChIKey of 5-(2-aminoethyl)-1-ethyl-3H-indol-2-one?
The InChIKey is JYYDPUNYXUTEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-14-11-4-3-9(5-6-13)7-10(11)8-12(14)15/h3-4,7H,2,5-6,8,13H2,1H3.
What are the key properties of 5-(2-aminoethyl)-1-ethyl-3H-indol-2-one?
5-(2-aminoethyl)-1-ethyl-3H-indol-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-1-ethyl-3H-indol-2-one is sourced from PubChem (CID 82190443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).