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

C15H20ClNO2 — CID 82173438

IUPAC5-chloro-3-ethyl-7-(1-hydroxy-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c1cc(Cl)cc2C(O)C(C)(C)C
InChIInChI=1S/C15H20ClNO2/c1-5-9-10-6-8(16)7-11(12(10)17-14(9)19)13(18)15(2,3)4/h6-7,9,13,18H,5H2,1-4H3,(H,17,19)
InChIKeyOBBZIVZZUSFKOF-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.87
Rot. Bonds2

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

5-chloro-3-ethyl-7-(1-hydroxy-2,2-dimethylpropyl)-1,3-dihydroindol-2-one (PubChem CID 82173438) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 5-chloro-3-ethyl-7-(1-hydroxy-2,2-dimethylpropyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-ethyl-7-(1-hydroxy-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
PubChem CID82173438
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name5-chloro-3-ethyl-7-(1-hydroxy-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c1cc(Cl)cc2C(O)C(C)(C)C
InChIInChI=1S/C15H20ClNO2/c1-5-9-10-6-8(16)7-11(12(10)17-14(9)19)13(18)15(2,3)4/h6-7,9,13,18H,5H2,1-4H3,(H,17,19)
InChIKeyOBBZIVZZUSFKOF-UHFFFAOYSA-N
XLogP3.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-[amino(phenyl)methyl]-5-chloro-3-ethyl-1,3-dihydroindol-2-one
CID 82173429
7-(aminomethyl)-5-chloro-3-ethyl-1,3-dihydroindol-2-one
CID 82190658
7-chloro-3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one
CID 82173752
3-ethyl-5-(1-hydroxy-2-methylpropyl)-6,7-dimethyl-1,3-dihydroindol-2-one
CID 82173135
6-chloro-3-ethyl-5-(1-hydroxybutyl)-7-methyl-1,3-dihydroindol-2-one
CID 82173855
3,5-diethyl-7-(1-hydroxybutyl)-1,3-dihydroindol-2-one
CID 82172672
5,7-dichloro-3-(3,3-dimethylbutyl)-1,3-dihydroindol-2-one
CID 106986700
5-(1-amino-2-methylpropyl)-6-chloro-3-ethyl-7-methyl-1,3-dihydroindol-2-one
CID 82173846
7-(1-amino-2-methylpropyl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one
CID 82173275
5-chloro-7-[cyclohexyl(hydroxy)methyl]-3-methyl-1,3-dihydroindol-2-one
CID 82173416
5-chloro-7-(1-hydroxy-2-phenylethyl)-3-methyl-1,3-dihydroindol-2-one
CID 82173417
5-(1-aminoethyl)-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one
CID 82173119

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethyl-7-(1-hydroxy-2,2-dimethylpropyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-ethyl-7-(1-hydroxy-2,2-dimethylpropyl)-1,3-dihydroindol-2-one (CID 82173438) is 5-chloro-3-ethyl-7-(1-hydroxy-2,2-dimethylpropyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-ethyl-7-(1-hydroxy-2,2-dimethylpropyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-ethyl-7-(1-hydroxy-2,2-dimethylpropyl)-1,3-dihydroindol-2-one is CCC1C(=O)Nc2c1cc(Cl)cc2C(O)C(C)(C)C.
What is the InChIKey of 5-chloro-3-ethyl-7-(1-hydroxy-2,2-dimethylpropyl)-1,3-dihydroindol-2-one?
The InChIKey is OBBZIVZZUSFKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-5-9-10-6-8(16)7-11(12(10)17-14(9)19)13(18)15(2,3)4/h6-7,9,13,18H,5H2,1-4H3,(H,17,19).
What are the key properties of 5-chloro-3-ethyl-7-(1-hydroxy-2,2-dimethylpropyl)-1,3-dihydroindol-2-one?
5-chloro-3-ethyl-7-(1-hydroxy-2,2-dimethylpropyl)-1,3-dihydroindol-2-one has a molecular weight of 281.78 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethyl-7-(1-hydroxy-2,2-dimethylpropyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).