5-(1-amino-2-methylpropyl)-6-chloro-3-ethyl-7-methyl-1,3-dihydroindol-2-one

C15H21ClN2O — CID 82173846

IUPAC5-(1-amino-2-methylpropyl)-6-chloro-3-ethyl-7-methyl-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c1cc(C(N)C(C)C)c(Cl)c2C
InChIInChI=1S/C15H21ClN2O/c1-5-9-10-6-11(13(17)7(2)3)12(16)8(4)14(10)18-15(9)19/h6-7,9,13H,5,17H2,1-4H3,(H,18,19)
InChIKeyMMGJDFPQHPUSQW-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.75
Rot. Bonds3

About 5-(1-amino-2-methylpropyl)-6-chloro-3-ethyl-7-methyl-1,3-dihydroindol-2-one

5-(1-amino-2-methylpropyl)-6-chloro-3-ethyl-7-methyl-1,3-dihydroindol-2-one (PubChem CID 82173846) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 5-(1-amino-2-methylpropyl)-6-chloro-3-ethyl-7-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(1-amino-2-methylpropyl)-6-chloro-3-ethyl-7-methyl-1,3-dihydroindol-2-one
PubChem CID82173846
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name5-(1-amino-2-methylpropyl)-6-chloro-3-ethyl-7-methyl-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c1cc(C(N)C(C)C)c(Cl)c2C
InChIInChI=1S/C15H21ClN2O/c1-5-9-10-6-11(13(17)7(2)3)12(16)8(4)14(10)18-15(9)19/h6-7,9,13H,5,17H2,1-4H3,(H,18,19)
InChIKeyMMGJDFPQHPUSQW-UHFFFAOYSA-N
XLogP3.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1-aminoethyl)-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one
CID 82173119
6-chloro-3-ethyl-5-(1-hydroxybutyl)-7-methyl-1,3-dihydroindol-2-one
CID 82173855
7-(1-amino-2-methylpropyl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one
CID 82173275
3-ethyl-5-(1-hydroxy-2-methylpropyl)-6,7-dimethyl-1,3-dihydroindol-2-one
CID 82173135
5-(1-amino-2-methylpropyl)-3,7-diethyl-1,3-dihydroindol-2-one
CID 82172974
5-(1-aminobutyl)-6-chloro-3,7-dimethyl-1,3-dihydroindol-2-one
CID 82173824
5-[amino-(3-methylphenyl)methyl]-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one
CID 82173129
5-(2-aminopropyl)-3-ethyl-7-methyl-1,3-dihydroindol-2-one
CID 82190504
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-[amino-(4-methylphenyl)methyl]-3,5-diethyl-1,3-dihydroindol-2-one
CID 82172666
7-(aminomethyl)-5-chloro-3-ethyl-1,3-dihydroindol-2-one
CID 82190658

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-methylpropyl)-6-chloro-3-ethyl-7-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-(1-amino-2-methylpropyl)-6-chloro-3-ethyl-7-methyl-1,3-dihydroindol-2-one (CID 82173846) is 5-(1-amino-2-methylpropyl)-6-chloro-3-ethyl-7-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(1-amino-2-methylpropyl)-6-chloro-3-ethyl-7-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(1-amino-2-methylpropyl)-6-chloro-3-ethyl-7-methyl-1,3-dihydroindol-2-one is CCC1C(=O)Nc2c1cc(C(N)C(C)C)c(Cl)c2C.
What is the InChIKey of 5-(1-amino-2-methylpropyl)-6-chloro-3-ethyl-7-methyl-1,3-dihydroindol-2-one?
The InChIKey is MMGJDFPQHPUSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-5-9-10-6-11(13(17)7(2)3)12(16)8(4)14(10)18-15(9)19/h6-7,9,13H,5,17H2,1-4H3,(H,18,19).
What are the key properties of 5-(1-amino-2-methylpropyl)-6-chloro-3-ethyl-7-methyl-1,3-dihydroindol-2-one?
5-(1-amino-2-methylpropyl)-6-chloro-3-ethyl-7-methyl-1,3-dihydroindol-2-one has a molecular weight of 280.80 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-methylpropyl)-6-chloro-3-ethyl-7-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).