1-butyl-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one

C19H20N2O3 — CID 2944160

IUPAC1-butyl-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one
SMILESCCCCN1C(=O)C(O)(CC(=O)c2ccccn2)c2ccccc21
InChIInChI=1S/C19H20N2O3/c1-2-3-12-21-16-10-5-4-8-14(16)19(24,18(21)23)13-17(22)15-9-6-7-11-20-15/h4-11,24H,2-3,12-13H2,1H3
InChIKeyYRINCQQVWGPJRQ-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.69
Rot. Bonds6

About 1-butyl-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one

1-butyl-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one (PubChem CID 2944160) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-butyl-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one.

Molecular Properties

Compound Name1-butyl-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one
PubChem CID2944160
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-butyl-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one
SMILESCCCCN1C(=O)C(O)(CC(=O)c2ccccn2)c2ccccc21
InChIInChI=1S/C19H20N2O3/c1-2-3-12-21-16-10-5-4-8-14(16)19(24,18(21)23)13-17(22)15-9-6-7-11-20-15/h4-11,24H,2-3,12-13H2,1H3
InChIKeyYRINCQQVWGPJRQ-UHFFFAOYSA-N
XLogP2.69
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one?
The IUPAC name of 1-butyl-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one (CID 2944160) is 1-butyl-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one.
What is the SMILES notation for 1-butyl-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one?
The canonical SMILES for 1-butyl-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one is CCCCN1C(=O)C(O)(CC(=O)c2ccccn2)c2ccccc21.
What is the InChIKey of 1-butyl-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one?
The InChIKey is YRINCQQVWGPJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-2-3-12-21-16-10-5-4-8-14(16)19(24,18(21)23)13-17(22)15-9-6-7-11-20-15/h4-11,24H,2-3,12-13H2,1H3.
What are the key properties of 1-butyl-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one?
1-butyl-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one has a molecular weight of 324.38 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one is sourced from PubChem (CID 2944160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).