1-[3-(2-aminoethyl)-1H-indol-5-yl]ethanone

C12H14N2O — CID 20810

IUPAC1-[3-(2-aminoethyl)-1H-indol-5-yl]ethanone
SMILESCC(=O)c1ccc2[nH]cc(CCN)c2c1
InChIInChI=1S/C12H14N2O/c1-8(15)9-2-3-12-11(6-9)10(4-5-13)7-14-12/h2-3,6-7,14H,4-5,13H2,1H3
InChIKeyRAUGYAOLAMRLLZ-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.87
Rot. Bonds3

About 1-[3-(2-aminoethyl)-1H-indol-5-yl]ethanone

1-[3-(2-aminoethyl)-1H-indol-5-yl]ethanone (PubChem CID 20810) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-[3-(2-aminoethyl)-1H-indol-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-aminoethyl)-1H-indol-5-yl]ethanone
PubChem CID20810
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-[3-(2-aminoethyl)-1H-indol-5-yl]ethanone
SMILESCC(=O)c1ccc2[nH]cc(CCN)c2c1
InChIInChI=1S/C12H14N2O/c1-8(15)9-2-3-12-11(6-9)10(4-5-13)7-14-12/h2-3,6-7,14H,4-5,13H2,1H3
InChIKeyRAUGYAOLAMRLLZ-UHFFFAOYSA-N
XLogP1.87
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminoethyl)-1H-indol-5-yl]ethanone?
The IUPAC name of 1-[3-(2-aminoethyl)-1H-indol-5-yl]ethanone (CID 20810) is 1-[3-(2-aminoethyl)-1H-indol-5-yl]ethanone.
What is the SMILES notation for 1-[3-(2-aminoethyl)-1H-indol-5-yl]ethanone?
The canonical SMILES for 1-[3-(2-aminoethyl)-1H-indol-5-yl]ethanone is CC(=O)c1ccc2[nH]cc(CCN)c2c1.
What is the InChIKey of 1-[3-(2-aminoethyl)-1H-indol-5-yl]ethanone?
The InChIKey is RAUGYAOLAMRLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8(15)9-2-3-12-11(6-9)10(4-5-13)7-14-12/h2-3,6-7,14H,4-5,13H2,1H3.
What are the key properties of 1-[3-(2-aminoethyl)-1H-indol-5-yl]ethanone?
1-[3-(2-aminoethyl)-1H-indol-5-yl]ethanone has a molecular weight of 202.26 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminoethyl)-1H-indol-5-yl]ethanone is sourced from PubChem (CID 20810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).