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

C11H13NO2 — CID 90417958

IUPAC3-hydroxy-1-propyl-3H-indol-2-one
SMILESCCCN1C(=O)C(O)c2ccccc21
InChIInChI=1S/C11H13NO2/c1-2-7-12-9-6-4-3-5-8(9)10(13)11(12)14/h3-6,10,13H,2,7H2,1H3
InChIKeyWYFVKROROFFYQS-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.48
Rot. Bonds2

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

3-hydroxy-1-propyl-3H-indol-2-one (PubChem CID 90417958) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-hydroxy-1-propyl-3H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-propyl-3H-indol-2-one
PubChem CID90417958
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3-hydroxy-1-propyl-3H-indol-2-one
SMILESCCCN1C(=O)C(O)c2ccccc21
InChIInChI=1S/C11H13NO2/c1-2-7-12-9-6-4-3-5-8(9)10(13)11(12)14/h3-6,10,13H,2,7H2,1H3
InChIKeyWYFVKROROFFYQS-UHFFFAOYSA-N
XLogP1.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-propyl-3H-indol-2-one?
The IUPAC name of 3-hydroxy-1-propyl-3H-indol-2-one (CID 90417958) is 3-hydroxy-1-propyl-3H-indol-2-one.
What is the SMILES notation for 3-hydroxy-1-propyl-3H-indol-2-one?
The canonical SMILES for 3-hydroxy-1-propyl-3H-indol-2-one is CCCN1C(=O)C(O)c2ccccc21.
What is the InChIKey of 3-hydroxy-1-propyl-3H-indol-2-one?
The InChIKey is WYFVKROROFFYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-7-12-9-6-4-3-5-8(9)10(13)11(12)14/h3-6,10,13H,2,7H2,1H3.
What are the key properties of 3-hydroxy-1-propyl-3H-indol-2-one?
3-hydroxy-1-propyl-3H-indol-2-one has a molecular weight of 191.23 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-propyl-3H-indol-2-one is sourced from PubChem (CID 90417958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).