3-hydroxy-3-(4-methyl-2-oxopentyl)-1H-indol-2-one

C14H17NO3 — CID 3096628

IUPAC3-hydroxy-3-(4-methyl-2-oxopentyl)-1H-indol-2-one
SMILESCC(C)CC(=O)CC1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C14H17NO3/c1-9(2)7-10(16)8-14(18)11-5-3-4-6-12(11)15-13(14)17/h3-6,9,18H,7-8H2,1-2H3,(H,15,17)
InChIKeyVFMXOJLDGJRYIJ-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.83
Rot. Bonds4

About 3-hydroxy-3-(4-methyl-2-oxopentyl)-1H-indol-2-one

3-hydroxy-3-(4-methyl-2-oxopentyl)-1H-indol-2-one (PubChem CID 3096628) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-hydroxy-3-(4-methyl-2-oxopentyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-(4-methyl-2-oxopentyl)-1H-indol-2-one
PubChem CID3096628
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-hydroxy-3-(4-methyl-2-oxopentyl)-1H-indol-2-one
SMILESCC(C)CC(=O)CC1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C14H17NO3/c1-9(2)7-10(16)8-14(18)11-5-3-4-6-12(11)15-13(14)17/h3-6,9,18H,7-8H2,1-2H3,(H,15,17)
InChIKeyVFMXOJLDGJRYIJ-UHFFFAOYSA-N
XLogP1.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(4-methyl-2-oxopentyl)-1H-indol-2-one?
The IUPAC name of 3-hydroxy-3-(4-methyl-2-oxopentyl)-1H-indol-2-one (CID 3096628) is 3-hydroxy-3-(4-methyl-2-oxopentyl)-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-3-(4-methyl-2-oxopentyl)-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-3-(4-methyl-2-oxopentyl)-1H-indol-2-one is CC(C)CC(=O)CC1(O)C(=O)Nc2ccccc21.
What is the InChIKey of 3-hydroxy-3-(4-methyl-2-oxopentyl)-1H-indol-2-one?
The InChIKey is VFMXOJLDGJRYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9(2)7-10(16)8-14(18)11-5-3-4-6-12(11)15-13(14)17/h3-6,9,18H,7-8H2,1-2H3,(H,15,17).
What are the key properties of 3-hydroxy-3-(4-methyl-2-oxopentyl)-1H-indol-2-one?
3-hydroxy-3-(4-methyl-2-oxopentyl)-1H-indol-2-one has a molecular weight of 247.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(4-methyl-2-oxopentyl)-1H-indol-2-one is sourced from PubChem (CID 3096628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).