1-benzyl-3-hydroxy-3-(2-oxopropyl)indol-2-one

C18H17NO3 — CID 2817391

IUPAC1-benzyl-3-hydroxy-3-(2-oxopropyl)indol-2-one
SMILESCC(=O)CC1(O)C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C18H17NO3/c1-13(20)11-18(22)15-9-5-6-10-16(15)19(17(18)21)12-14-7-3-2-4-8-14/h2-10,22H,11-12H2,1H3
InChIKeyPVMXHPSIERCULV-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.40
Rot. Bonds4

About 1-benzyl-3-hydroxy-3-(2-oxopropyl)indol-2-one

1-benzyl-3-hydroxy-3-(2-oxopropyl)indol-2-one (PubChem CID 2817391) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-benzyl-3-hydroxy-3-(2-oxopropyl)indol-2-one.

Molecular Properties

Compound Name1-benzyl-3-hydroxy-3-(2-oxopropyl)indol-2-one
PubChem CID2817391
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name1-benzyl-3-hydroxy-3-(2-oxopropyl)indol-2-one
SMILESCC(=O)CC1(O)C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C18H17NO3/c1-13(20)11-18(22)15-9-5-6-10-16(15)19(17(18)21)12-14-7-3-2-4-8-14/h2-10,22H,11-12H2,1H3
InChIKeyPVMXHPSIERCULV-UHFFFAOYSA-N
XLogP2.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-3-hydroxy-3-(2-oxopropyl)indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-hydroxy-3-(2-oxopropyl)indol-2-one?
The IUPAC name of 1-benzyl-3-hydroxy-3-(2-oxopropyl)indol-2-one (CID 2817391) is 1-benzyl-3-hydroxy-3-(2-oxopropyl)indol-2-one.
What is the SMILES notation for 1-benzyl-3-hydroxy-3-(2-oxopropyl)indol-2-one?
The canonical SMILES for 1-benzyl-3-hydroxy-3-(2-oxopropyl)indol-2-one is CC(=O)CC1(O)C(=O)N(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 1-benzyl-3-hydroxy-3-(2-oxopropyl)indol-2-one?
The InChIKey is PVMXHPSIERCULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-13(20)11-18(22)15-9-5-6-10-16(15)19(17(18)21)12-14-7-3-2-4-8-14/h2-10,22H,11-12H2,1H3.
What are the key properties of 1-benzyl-3-hydroxy-3-(2-oxopropyl)indol-2-one?
1-benzyl-3-hydroxy-3-(2-oxopropyl)indol-2-one has a molecular weight of 295.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-hydroxy-3-(2-oxopropyl)indol-2-one is sourced from PubChem (CID 2817391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).