3-(2-aminoethyl)-1,3-dihydroindol-2-one

C10H12N2O — CID 21095

IUPAC3-(2-aminoethyl)-1,3-dihydroindol-2-one
SMILESNCCC1C(=O)Nc2ccccc21
InChIInChI=1S/C10H12N2O/c11-6-5-8-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5-6,11H2,(H,12,13)
InChIKeySZDFIVJGWVHZAV-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.07
Rot. Bonds2

About 3-(2-aminoethyl)-1,3-dihydroindol-2-one

3-(2-aminoethyl)-1,3-dihydroindol-2-one (PubChem CID 21095) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-1,3-dihydroindol-2-one
PubChem CID21095
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name3-(2-aminoethyl)-1,3-dihydroindol-2-one
SMILESNCCC1C(=O)Nc2ccccc21
InChIInChI=1S/C10H12N2O/c11-6-5-8-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5-6,11H2,(H,12,13)
InChIKeySZDFIVJGWVHZAV-UHFFFAOYSA-N
XLogP1.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-(2-aminoethyl)-1,3-dihydroindol-2-one (CID 21095) is 3-(2-aminoethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(2-aminoethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(2-aminoethyl)-1,3-dihydroindol-2-one is NCCC1C(=O)Nc2ccccc21.
What is the InChIKey of 3-(2-aminoethyl)-1,3-dihydroindol-2-one?
The InChIKey is SZDFIVJGWVHZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c11-6-5-8-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5-6,11H2,(H,12,13).
What are the key properties of 3-(2-aminoethyl)-1,3-dihydroindol-2-one?
3-(2-aminoethyl)-1,3-dihydroindol-2-one has a molecular weight of 176.22 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 21095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).