5-(2-aminoethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one

C11H13ClN2O — CID 82190576

IUPAC5-(2-aminoethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one
SMILESCC1C(=O)Nc2c(Cl)cc(CCN)cc21
InChIInChI=1S/C11H13ClN2O/c1-6-8-4-7(2-3-13)5-9(12)10(8)14-11(6)15/h4-6H,2-3,13H2,1H3,(H,14,15)
InChIKeyJSHUEOHGYTWRPM-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.90
Rot. Bonds2

About 5-(2-aminoethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one

5-(2-aminoethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one (PubChem CID 82190576) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 5-(2-aminoethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one
PubChem CID82190576
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name5-(2-aminoethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one
SMILESCC1C(=O)Nc2c(Cl)cc(CCN)cc21
InChIInChI=1S/C11H13ClN2O/c1-6-8-4-7(2-3-13)5-9(12)10(8)14-11(6)15/h4-6H,2-3,13H2,1H3,(H,14,15)
InChIKeyJSHUEOHGYTWRPM-UHFFFAOYSA-N
XLogP1.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-aminoethyl)-7-chloro-3-ethyl-1,3-dihydroindol-2-one
CID 82190581
7-(2-aminoethyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one
CID 82190654
7-chloro-3-methyl-2-oxo-1,3-dihydroindole-5-carboxylic acid
CID 82104773
7-(aminomethyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one
CID 82190653
7-(3-aminopropyl)-3,5-dimethyl-1,3-dihydroindol-2-one
CID 82190537
5-(1-aminobutyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one
CID 82173710
5-(1-amino-2-methoxyethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one
CID 82173711
5-(3-aminopropyl)-3-methyl-1,3-dihydroindol-2-one
CID 82190449
5-[amino-(4-methylphenyl)methyl]-7-chloro-3-methyl-1,3-dihydroindol-2-one
CID 82173718
5-(2-aminoethyl)-7-bromo-3-ethyl-1,3-dihydroindol-2-one
CID 82190601
7-(4-aminobutyl)-5-fluoro-3-methyl-1,3-dihydroindol-2-one
CID 82190636
7-(2-aminopropyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one
CID 82190657

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-(2-aminoethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one (CID 82190576) is 5-(2-aminoethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(2-aminoethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one is CC1C(=O)Nc2c(Cl)cc(CCN)cc21.
What is the InChIKey of 5-(2-aminoethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is JSHUEOHGYTWRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-6-8-4-7(2-3-13)5-9(12)10(8)14-11(6)15/h4-6H,2-3,13H2,1H3,(H,14,15).
What are the key properties of 5-(2-aminoethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one?
5-(2-aminoethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 224.69 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82190576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).