3-ethyl-5-(1-hydroxy-2-methylpropyl)-6,7-dimethyl-1,3-dihydroindol-2-one

C16H23NO2 — CID 82173135

IUPAC3-ethyl-5-(1-hydroxy-2-methylpropyl)-6,7-dimethyl-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c1cc(C(O)C(C)C)c(C)c2C
InChIInChI=1S/C16H23NO2/c1-6-11-13-7-12(15(18)8(2)3)9(4)10(5)14(13)17-16(11)19/h7-8,11,15,18H,6H2,1-5H3,(H,17,19)
InChIKeyWAVZHDMRIJUCGQ-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.44
Rot. Bonds3

About 3-ethyl-5-(1-hydroxy-2-methylpropyl)-6,7-dimethyl-1,3-dihydroindol-2-one

3-ethyl-5-(1-hydroxy-2-methylpropyl)-6,7-dimethyl-1,3-dihydroindol-2-one (PubChem CID 82173135) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-ethyl-5-(1-hydroxy-2-methylpropyl)-6,7-dimethyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-ethyl-5-(1-hydroxy-2-methylpropyl)-6,7-dimethyl-1,3-dihydroindol-2-one
PubChem CID82173135
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name3-ethyl-5-(1-hydroxy-2-methylpropyl)-6,7-dimethyl-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c1cc(C(O)C(C)C)c(C)c2C
InChIInChI=1S/C16H23NO2/c1-6-11-13-7-12(15(18)8(2)3)9(4)10(5)14(13)17-16(11)19/h7-8,11,15,18H,6H2,1-5H3,(H,17,19)
InChIKeyWAVZHDMRIJUCGQ-UHFFFAOYSA-N
XLogP3.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.44
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
3-ethyl-5-[furan-2-yl(hydroxy)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one
CID 82173141
5-(1-amino-2-methylpropyl)-6-chloro-3-ethyl-7-methyl-1,3-dihydroindol-2-one
CID 82173846
6-chloro-3-ethyl-5-(1-hydroxybutyl)-7-methyl-1,3-dihydroindol-2-one
CID 82173855
5-[amino-(3-methylphenyl)methyl]-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one
CID 82173129
3-ethyl-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one
CID 82172223
3,5-diethyl-7-(1-hydroxybutyl)-1,3-dihydroindol-2-one
CID 82172672
5-chloro-3-ethyl-7-(1-hydroxy-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 82173438
3-ethyl-5-[(2-fluorophenyl)-hydroxymethyl]-7-methyl-1,3-dihydroindol-2-one
CID 82172845
7-(1-amino-2-methylpropyl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one
CID 82173275
5-(2-aminopropyl)-3-ethyl-7-methyl-1,3-dihydroindol-2-one
CID 82190504
5-(1-amino-2-methylpropyl)-3,7-diethyl-1,3-dihydroindol-2-one
CID 82172974

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(1-hydroxy-2-methylpropyl)-6,7-dimethyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-ethyl-5-(1-hydroxy-2-methylpropyl)-6,7-dimethyl-1,3-dihydroindol-2-one (CID 82173135) is 3-ethyl-5-(1-hydroxy-2-methylpropyl)-6,7-dimethyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-ethyl-5-(1-hydroxy-2-methylpropyl)-6,7-dimethyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-ethyl-5-(1-hydroxy-2-methylpropyl)-6,7-dimethyl-1,3-dihydroindol-2-one is CCC1C(=O)Nc2c1cc(C(O)C(C)C)c(C)c2C.
What is the InChIKey of 3-ethyl-5-(1-hydroxy-2-methylpropyl)-6,7-dimethyl-1,3-dihydroindol-2-one?
The InChIKey is WAVZHDMRIJUCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-6-11-13-7-12(15(18)8(2)3)9(4)10(5)14(13)17-16(11)19/h7-8,11,15,18H,6H2,1-5H3,(H,17,19).
What are the key properties of 3-ethyl-5-(1-hydroxy-2-methylpropyl)-6,7-dimethyl-1,3-dihydroindol-2-one?
3-ethyl-5-(1-hydroxy-2-methylpropyl)-6,7-dimethyl-1,3-dihydroindol-2-one has a molecular weight of 261.36 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(1-hydroxy-2-methylpropyl)-6,7-dimethyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).