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

C11H10ClNO3 — CID 12674978

IUPAC5-chloro-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one
SMILESCC(=O)CC1(O)C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C11H10ClNO3/c1-6(14)5-11(16)8-4-7(12)2-3-9(8)13-10(11)15/h2-4,16H,5H2,1H3,(H,13,15)
InChIKeyZSAGYDHNYJBYTB-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.46
Rot. Bonds2

About 5-chloro-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one

5-chloro-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one (PubChem CID 12674978) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is 5-chloro-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one.

Molecular Properties

Compound Name5-chloro-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one
PubChem CID12674978
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Name5-chloro-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one
SMILESCC(=O)CC1(O)C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C11H10ClNO3/c1-6(14)5-11(16)8-4-7(12)2-3-9(8)13-10(11)15/h2-4,16H,5H2,1H3,(H,13,15)
InChIKeyZSAGYDHNYJBYTB-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 5-chloro-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one?
The IUPAC name of 5-chloro-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one (CID 12674978) is 5-chloro-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one.
What is the SMILES notation for 5-chloro-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one?
The canonical SMILES for 5-chloro-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one is CC(=O)CC1(O)C(=O)Nc2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one?
The InChIKey is ZSAGYDHNYJBYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3/c1-6(14)5-11(16)8-4-7(12)2-3-9(8)13-10(11)15/h2-4,16H,5H2,1H3,(H,13,15).
What are the key properties of 5-chloro-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one?
5-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 5-chloro-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one is sourced from PubChem (CID 12674978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).