5-(2-aminoethyl)-6-chloro-7-methyl-1,3-dihydroindol-2-one

C11H13ClN2O — CID 82190727

IUPAC5-(2-aminoethyl)-6-chloro-7-methyl-1,3-dihydroindol-2-one
SMILESCc1c(Cl)c(CCN)cc2c1NC(=O)C2
InChIInChI=1S/C11H13ClN2O/c1-6-10(12)7(2-3-13)4-8-5-9(15)14-11(6)8/h4H,2-3,5,13H2,1H3,(H,14,15)
InChIKeyXZRUFWQYQYDICU-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.64
Rot. Bonds2

About 5-(2-aminoethyl)-6-chloro-7-methyl-1,3-dihydroindol-2-one

5-(2-aminoethyl)-6-chloro-7-methyl-1,3-dihydroindol-2-one (PubChem CID 82190727) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 5-(2-aminoethyl)-6-chloro-7-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-6-chloro-7-methyl-1,3-dihydroindol-2-one
PubChem CID82190727
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name5-(2-aminoethyl)-6-chloro-7-methyl-1,3-dihydroindol-2-one
SMILESCc1c(Cl)c(CCN)cc2c1NC(=O)C2
InChIInChI=1S/C11H13ClN2O/c1-6-10(12)7(2-3-13)4-8-5-9(15)14-11(6)8/h4H,2-3,5,13H2,1H3,(H,14,15)
InChIKeyXZRUFWQYQYDICU-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-(2-aminoethyl)-5-methyl-1,3-dihydroindol-2-one
CID 82190531
7-(4-aminobutyl)-5-chloro-1,3-dihydroindol-2-one
CID 82190651
7-(2-aminoethyl)-1,3-dihydroindol-2-one
CID 82410863
6-chloro-5-(1-hydroxybutyl)-7-methyl-1,3-dihydroindol-2-one
CID 82173804
7-ethyl-5-methyl-1,3-dihydroindol-2-one
CID 142337583
7-[(E)-3-aminoprop-1-enyl]-5-chloro-1,3-dihydroindol-2-one
CID 117318863
5-methoxy-6,7-dimethyl-1,3-dihydroindol-2-one
CID 22238086
7-(aminomethyl)-5-bromo-1,3-dihydroindol-2-one
CID 82190668
7-(aminomethyl)-5-fluoro-1,3-dihydroindol-2-one
CID 82190628
6-(3-aminopropyl)-8-chloro-5-hydroxy-4,4-dimethyl-1,3-dihydroquinolin-2-one
CID 87984439
7-(2-aminopropyl)-5-methyl-1,3-dihydroindol-2-one
CID 82190534
7-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5-chloro-1,3-dihydroindol-2-one
CID 117416069

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-6-chloro-7-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-(2-aminoethyl)-6-chloro-7-methyl-1,3-dihydroindol-2-one (CID 82190727) is 5-(2-aminoethyl)-6-chloro-7-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-6-chloro-7-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(2-aminoethyl)-6-chloro-7-methyl-1,3-dihydroindol-2-one is Cc1c(Cl)c(CCN)cc2c1NC(=O)C2.
What is the InChIKey of 5-(2-aminoethyl)-6-chloro-7-methyl-1,3-dihydroindol-2-one?
The InChIKey is XZRUFWQYQYDICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-6-10(12)7(2-3-13)4-8-5-9(15)14-11(6)8/h4H,2-3,5,13H2,1H3,(H,14,15).
What are the key properties of 5-(2-aminoethyl)-6-chloro-7-methyl-1,3-dihydroindol-2-one?
5-(2-aminoethyl)-6-chloro-7-methyl-1,3-dihydroindol-2-one has a molecular weight of 224.69 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-6-chloro-7-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82190727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).