3-hydroxy-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-propylindol-2-one

C23H25NO3 — CID 2954968

IUPAC3-hydroxy-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-propylindol-2-one
SMILESCCCN1C(=O)C(O)(CC(=O)c2ccc3c(c2)CCCC3)c2ccccc21
InChIInChI=1S/C23H25NO3/c1-2-13-24-20-10-6-5-9-19(20)23(27,22(24)26)15-21(25)18-12-11-16-7-3-4-8-17(16)14-18/h5-6,9-12,14,27H,2-4,7-8,13,15H2,1H3
InChIKeyGAQJQGUKHVKPTO-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.78
Rot. Bonds5

About 3-hydroxy-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-propylindol-2-one

3-hydroxy-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-propylindol-2-one (PubChem CID 2954968) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-hydroxy-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-propylindol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-propylindol-2-one
PubChem CID2954968
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name3-hydroxy-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-propylindol-2-one
SMILESCCCN1C(=O)C(O)(CC(=O)c2ccc3c(c2)CCCC3)c2ccccc21
InChIInChI=1S/C23H25NO3/c1-2-13-24-20-10-6-5-9-19(20)23(27,22(24)26)15-21(25)18-12-11-16-7-3-4-8-17(16)14-18/h5-6,9-12,14,27H,2-4,7-8,13,15H2,1H3
InChIKeyGAQJQGUKHVKPTO-UHFFFAOYSA-N
XLogP3.78
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-propylindol-2-one?
The IUPAC name of 3-hydroxy-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-propylindol-2-one (CID 2954968) is 3-hydroxy-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-propylindol-2-one.
What is the SMILES notation for 3-hydroxy-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-propylindol-2-one?
The canonical SMILES for 3-hydroxy-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-propylindol-2-one is CCCN1C(=O)C(O)(CC(=O)c2ccc3c(c2)CCCC3)c2ccccc21.
What is the InChIKey of 3-hydroxy-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-propylindol-2-one?
The InChIKey is GAQJQGUKHVKPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-2-13-24-20-10-6-5-9-19(20)23(27,22(24)26)15-21(25)18-12-11-16-7-3-4-8-17(16)14-18/h5-6,9-12,14,27H,2-4,7-8,13,15H2,1H3.
What are the key properties of 3-hydroxy-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-propylindol-2-one?
3-hydroxy-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-propylindol-2-one has a molecular weight of 363.46 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-propylindol-2-one is sourced from PubChem (CID 2954968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).