7-(aminomethyl)-5-chloro-3-ethyl-1,3-dihydroindol-2-one

C11H13ClN2O — CID 82190658

IUPAC7-(aminomethyl)-5-chloro-3-ethyl-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c(CN)cc(Cl)cc21
InChIInChI=1S/C11H13ClN2O/c1-2-8-9-4-7(12)3-6(5-13)10(9)14-11(8)15/h3-4,8H,2,5,13H2,1H3,(H,14,15)
InChIKeyBNBBXXFYPXQQLI-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.24
Rot. Bonds2

About 7-(aminomethyl)-5-chloro-3-ethyl-1,3-dihydroindol-2-one

7-(aminomethyl)-5-chloro-3-ethyl-1,3-dihydroindol-2-one (PubChem CID 82190658) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 7-(aminomethyl)-5-chloro-3-ethyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-(aminomethyl)-5-chloro-3-ethyl-1,3-dihydroindol-2-one
PubChem CID82190658
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name7-(aminomethyl)-5-chloro-3-ethyl-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c(CN)cc(Cl)cc21
InChIInChI=1S/C11H13ClN2O/c1-2-8-9-4-7(12)3-6(5-13)10(9)14-11(8)15/h3-4,8H,2,5,13H2,1H3,(H,14,15)
InChIKeyBNBBXXFYPXQQLI-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-(aminomethyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one
CID 82190653
5-(2-aminoethyl)-7-chloro-3-ethyl-1,3-dihydroindol-2-one
CID 82190581
7-[amino(phenyl)methyl]-5-chloro-3-ethyl-1,3-dihydroindol-2-one
CID 82173429
5-chloro-3-ethyl-7-(1-hydroxy-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 82173438
7-(2-aminoethyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one
CID 82190654
7-(3-aminopropyl)-3,5-diethyl-1,3-dihydroindol-2-one
CID 82190562
5-(1-amino-2-methylpropyl)-3,7-diethyl-1,3-dihydroindol-2-one
CID 82172974
7-chloro-3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one
CID 82173752
7-(2-aminopropyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one
CID 82190657
5-(2-aminoethyl)-7-bromo-3-ethyl-1,3-dihydroindol-2-one
CID 82190601
5-(1-amino-2-methylpropyl)-6-chloro-3-ethyl-7-methyl-1,3-dihydroindol-2-one
CID 82173846
5-(2-aminopropyl)-3-ethyl-7-methyl-1,3-dihydroindol-2-one
CID 82190504

Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-5-chloro-3-ethyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-(aminomethyl)-5-chloro-3-ethyl-1,3-dihydroindol-2-one (CID 82190658) is 7-(aminomethyl)-5-chloro-3-ethyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-(aminomethyl)-5-chloro-3-ethyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-(aminomethyl)-5-chloro-3-ethyl-1,3-dihydroindol-2-one is CCC1C(=O)Nc2c(CN)cc(Cl)cc21.
What is the InChIKey of 7-(aminomethyl)-5-chloro-3-ethyl-1,3-dihydroindol-2-one?
The InChIKey is BNBBXXFYPXQQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-2-8-9-4-7(12)3-6(5-13)10(9)14-11(8)15/h3-4,8H,2,5,13H2,1H3,(H,14,15).
What are the key properties of 7-(aminomethyl)-5-chloro-3-ethyl-1,3-dihydroindol-2-one?
7-(aminomethyl)-5-chloro-3-ethyl-1,3-dihydroindol-2-one has a molecular weight of 224.69 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-5-chloro-3-ethyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82190658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).