3-(2-aminoethyl)-7-chloro-1,3-dihydroindol-2-one

C10H11ClN2O — CID 63555300

IUPAC3-(2-aminoethyl)-7-chloro-1,3-dihydroindol-2-one
SMILESNCCC1C(=O)Nc2c(Cl)cccc21
InChIInChI=1S/C10H11ClN2O/c11-8-3-1-2-6-7(4-5-12)10(14)13-9(6)8/h1-3,7H,4-5,12H2,(H,13,14)
InChIKeyXHRYANDQESDCLY-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.72
Rot. Bonds2

About 3-(2-aminoethyl)-7-chloro-1,3-dihydroindol-2-one

3-(2-aminoethyl)-7-chloro-1,3-dihydroindol-2-one (PubChem CID 63555300) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 3-(2-aminoethyl)-7-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-7-chloro-1,3-dihydroindol-2-one
PubChem CID63555300
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name3-(2-aminoethyl)-7-chloro-1,3-dihydroindol-2-one
SMILESNCCC1C(=O)Nc2c(Cl)cccc21
InChIInChI=1S/C10H11ClN2O/c11-8-3-1-2-6-7(4-5-12)10(14)13-9(6)8/h1-3,7H,4-5,12H2,(H,13,14)
InChIKeyXHRYANDQESDCLY-UHFFFAOYSA-N
XLogP1.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-7-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 3-(2-aminoethyl)-7-chloro-1,3-dihydroindol-2-one (CID 63555300) is 3-(2-aminoethyl)-7-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(2-aminoethyl)-7-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(2-aminoethyl)-7-chloro-1,3-dihydroindol-2-one is NCCC1C(=O)Nc2c(Cl)cccc21.
What is the InChIKey of 3-(2-aminoethyl)-7-chloro-1,3-dihydroindol-2-one?
The InChIKey is XHRYANDQESDCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c11-8-3-1-2-6-7(4-5-12)10(14)13-9(6)8/h1-3,7H,4-5,12H2,(H,13,14).
What are the key properties of 3-(2-aminoethyl)-7-chloro-1,3-dihydroindol-2-one?
3-(2-aminoethyl)-7-chloro-1,3-dihydroindol-2-one has a molecular weight of 210.66 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-7-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 63555300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).