5-chloro-3-ethyl-3-hydroxy-1H-indol-2-one

C10H10ClNO2 — CID 159617645

IUPAC5-chloro-3-ethyl-3-hydroxy-1H-indol-2-one
SMILESCCC1(O)C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C10H10ClNO2/c1-2-10(14)7-5-6(11)3-4-8(7)12-9(10)13/h3-5,14H,2H2,1H3,(H,12,13)
InChIKeyMNMFXPJUPMZANO-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.89
Rot. Bonds1

About 5-chloro-3-ethyl-3-hydroxy-1H-indol-2-one

5-chloro-3-ethyl-3-hydroxy-1H-indol-2-one (PubChem CID 159617645) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 5-chloro-3-ethyl-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name5-chloro-3-ethyl-3-hydroxy-1H-indol-2-one
PubChem CID159617645
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name5-chloro-3-ethyl-3-hydroxy-1H-indol-2-one
SMILESCCC1(O)C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C10H10ClNO2/c1-2-10(14)7-5-6(11)3-4-8(7)12-9(10)13/h3-5,14H,2H2,1H3,(H,12,13)
InChIKeyMNMFXPJUPMZANO-UHFFFAOYSA-N
XLogP1.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 796025
(3S)-3-amino-5-chloro-3-(hydroxymethyl)-1H-indol-2-one
CID 130804081
(3R)-5-chloro-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 957686
(3S)-5-chloro-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 886898
3-[2-(2-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1H-indol-2-one
CID 46360603
(3R)-5-chloro-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 886897
(3R)-5-chloro-3-hydroxy-3-(2-oxo-4-phenylbut-3-enyl)-1H-indol-2-one
CID 6957295
(3R)-5-chloro-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indol-2-one
CID 39350228
3-[2-(4-chlorophenyl)-2-oxoethyl]-5-ethyl-3-hydroxy-1H-indol-2-one
CID 2860905
4,5-dichloro-3-ethyl-3-hydroxy-1H-indol-2-one
CID 102496397
5-chloro-3-(5-chloro-2-methoxyphenyl)-3-hydroxy-1H-indol-2-one
CID 67428748
(3S)-5-chloro-3-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 39352069

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethyl-3-hydroxy-1H-indol-2-one?
The IUPAC name of 5-chloro-3-ethyl-3-hydroxy-1H-indol-2-one (CID 159617645) is 5-chloro-3-ethyl-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 5-chloro-3-ethyl-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 5-chloro-3-ethyl-3-hydroxy-1H-indol-2-one is CCC1(O)C(=O)Nc2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-3-ethyl-3-hydroxy-1H-indol-2-one?
The InChIKey is MNMFXPJUPMZANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-2-10(14)7-5-6(11)3-4-8(7)12-9(10)13/h3-5,14H,2H2,1H3,(H,12,13).
What are the key properties of 5-chloro-3-ethyl-3-hydroxy-1H-indol-2-one?
5-chloro-3-ethyl-3-hydroxy-1H-indol-2-one has a molecular weight of 211.65 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethyl-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 159617645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).