3-(2-aminoethyl)-1,2,3,3a,4,7a-hexahydroindol-5-one

C10H16N2O — CID 123442268

IUPAC3-(2-aminoethyl)-1,2,3,3a,4,7a-hexahydroindol-5-one
SMILESNCCC1CNC2C=CC(=O)CC12
InChIInChI=1S/C10H16N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,7,9-10,12H,3-6,11H2
InChIKeyUKFOYZTZQJUAIO-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.07
Rot. Bonds2

About 3-(2-aminoethyl)-1,2,3,3a,4,7a-hexahydroindol-5-one

3-(2-aminoethyl)-1,2,3,3a,4,7a-hexahydroindol-5-one (PubChem CID 123442268) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1,2,3,3a,4,7a-hexahydroindol-5-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-1,2,3,3a,4,7a-hexahydroindol-5-one
PubChem CID123442268
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-(2-aminoethyl)-1,2,3,3a,4,7a-hexahydroindol-5-one
SMILESNCCC1CNC2C=CC(=O)CC12
InChIInChI=1S/C10H16N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,7,9-10,12H,3-6,11H2
InChIKeyUKFOYZTZQJUAIO-UHFFFAOYSA-N
XLogP0.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-aminoethyl)-1,2,3,3a,4,7a-hexahydroindol-5-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1,2,3,3a,4,7a-hexahydroindol-5-one?
The IUPAC name of 3-(2-aminoethyl)-1,2,3,3a,4,7a-hexahydroindol-5-one (CID 123442268) is 3-(2-aminoethyl)-1,2,3,3a,4,7a-hexahydroindol-5-one.
What is the SMILES notation for 3-(2-aminoethyl)-1,2,3,3a,4,7a-hexahydroindol-5-one?
The canonical SMILES for 3-(2-aminoethyl)-1,2,3,3a,4,7a-hexahydroindol-5-one is NCCC1CNC2C=CC(=O)CC12.
What is the InChIKey of 3-(2-aminoethyl)-1,2,3,3a,4,7a-hexahydroindol-5-one?
The InChIKey is UKFOYZTZQJUAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,7,9-10,12H,3-6,11H2.
What are the key properties of 3-(2-aminoethyl)-1,2,3,3a,4,7a-hexahydroindol-5-one?
3-(2-aminoethyl)-1,2,3,3a,4,7a-hexahydroindol-5-one has a molecular weight of 180.25 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1,2,3,3a,4,7a-hexahydroindol-5-one is sourced from PubChem (CID 123442268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).