1-benzyl-3-hydroxy-3H-indol-2-one

C15H13NO2 — CID 57333507

IUPAC1-benzyl-3-hydroxy-3H-indol-2-one
SMILESO=C1C(O)c2ccccc2N1Cc1ccccc1
InChIInChI=1S/C15H13NO2/c17-14-12-8-4-5-9-13(12)16(15(14)18)10-11-6-2-1-3-7-11/h1-9,14,17H,10H2
InChIKeyGCNPFDJNHLABPZ-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.27
Rot. Bonds2

About 1-benzyl-3-hydroxy-3H-indol-2-one

1-benzyl-3-hydroxy-3H-indol-2-one (PubChem CID 57333507) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-benzyl-3-hydroxy-3H-indol-2-one.

Molecular Properties

Compound Name1-benzyl-3-hydroxy-3H-indol-2-one
PubChem CID57333507
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name1-benzyl-3-hydroxy-3H-indol-2-one
SMILESO=C1C(O)c2ccccc2N1Cc1ccccc1
InChIInChI=1S/C15H13NO2/c17-14-12-8-4-5-9-13(12)16(15(14)18)10-11-6-2-1-3-7-11/h1-9,14,17H,10H2
InChIKeyGCNPFDJNHLABPZ-UHFFFAOYSA-N
XLogP2.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-hydroxy-3H-indol-2-one?
The IUPAC name of 1-benzyl-3-hydroxy-3H-indol-2-one (CID 57333507) is 1-benzyl-3-hydroxy-3H-indol-2-one.
What is the SMILES notation for 1-benzyl-3-hydroxy-3H-indol-2-one?
The canonical SMILES for 1-benzyl-3-hydroxy-3H-indol-2-one is O=C1C(O)c2ccccc2N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-hydroxy-3H-indol-2-one?
The InChIKey is GCNPFDJNHLABPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c17-14-12-8-4-5-9-13(12)16(15(14)18)10-11-6-2-1-3-7-11/h1-9,14,17H,10H2.
What are the key properties of 1-benzyl-3-hydroxy-3H-indol-2-one?
1-benzyl-3-hydroxy-3H-indol-2-one has a molecular weight of 239.27 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-hydroxy-3H-indol-2-one is sourced from PubChem (CID 57333507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).