4-chloro-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one

C11H10ClNO3 — CID 52983471

IUPAC4-chloro-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one
SMILESCC(=O)CC1(O)C(=O)Nc2cccc(Cl)c21
InChIInChI=1S/C11H10ClNO3/c1-6(14)5-11(16)9-7(12)3-2-4-8(9)13-10(11)15/h2-4,16H,5H2,1H3,(H,13,15)
InChIKeyLYSVGJHMEMOAKS-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.46
Rot. Bonds2

About 4-chloro-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one

4-chloro-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one (PubChem CID 52983471) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is 4-chloro-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one.

Molecular Properties

Compound Name4-chloro-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one
PubChem CID52983471
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Name4-chloro-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one
SMILESCC(=O)CC1(O)C(=O)Nc2cccc(Cl)c21
InChIInChI=1S/C11H10ClNO3/c1-6(14)5-11(16)9-7(12)3-2-4-8(9)13-10(11)15/h2-4,16H,5H2,1H3,(H,13,15)
InChIKeyLYSVGJHMEMOAKS-UHFFFAOYSA-N
XLogP1.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one?
The IUPAC name of 4-chloro-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one (CID 52983471) is 4-chloro-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one.
What is the SMILES notation for 4-chloro-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one?
The canonical SMILES for 4-chloro-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one is CC(=O)CC1(O)C(=O)Nc2cccc(Cl)c21.
What is the InChIKey of 4-chloro-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one?
The InChIKey is LYSVGJHMEMOAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3/c1-6(14)5-11(16)9-7(12)3-2-4-8(9)13-10(11)15/h2-4,16H,5H2,1H3,(H,13,15).
What are the key properties of 4-chloro-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one?
4-chloro-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one has a molecular weight of 239.66 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one is sourced from PubChem (CID 52983471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).