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

C11H13ClN2O — CID 82190654

IUPAC7-(2-aminoethyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one
SMILESCC1C(=O)Nc2c(CCN)cc(Cl)cc21
InChIInChI=1S/C11H13ClN2O/c1-6-9-5-8(12)4-7(2-3-13)10(9)14-11(6)15/h4-6H,2-3,13H2,1H3,(H,14,15)
InChIKeyGXGXMBJMBMJGQP-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.90
Rot. Bonds2

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

7-(2-aminoethyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one (PubChem CID 82190654) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 7-(2-aminoethyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-(2-aminoethyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one
PubChem CID82190654
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name7-(2-aminoethyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one
SMILESCC1C(=O)Nc2c(CCN)cc(Cl)cc21
InChIInChI=1S/C11H13ClN2O/c1-6-9-5-8(12)4-7(2-3-13)10(9)14-11(6)15/h4-6H,2-3,13H2,1H3,(H,14,15)
InChIKeyGXGXMBJMBMJGQP-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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Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoethyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-(2-aminoethyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one (CID 82190654) is 7-(2-aminoethyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-(2-aminoethyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-(2-aminoethyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one is CC1C(=O)Nc2c(CCN)cc(Cl)cc21.
What is the InChIKey of 7-(2-aminoethyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is GXGXMBJMBMJGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-6-9-5-8(12)4-7(2-3-13)10(9)14-11(6)15/h4-6H,2-3,13H2,1H3,(H,14,15).
What are the key properties of 7-(2-aminoethyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one?
7-(2-aminoethyl)-5-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 7-(2-aminoethyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82190654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).