3-(1-hydroxypentan-3-yl)-3-methyl-1H-indol-2-one

C14H19NO2 — CID 102522956

IUPAC3-(1-hydroxypentan-3-yl)-3-methyl-1H-indol-2-one
SMILESCCC(CCO)C1(C)C(=O)Nc2ccccc21
InChIInChI=1S/C14H19NO2/c1-3-10(8-9-16)14(2)11-6-4-5-7-12(11)15-13(14)17/h4-7,10,16H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyNDSUPSGWRARSRS-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.31
Rot. Bonds4

About 3-(1-hydroxypentan-3-yl)-3-methyl-1H-indol-2-one

3-(1-hydroxypentan-3-yl)-3-methyl-1H-indol-2-one (PubChem CID 102522956) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(1-hydroxypentan-3-yl)-3-methyl-1H-indol-2-one.

Molecular Properties

Compound Name3-(1-hydroxypentan-3-yl)-3-methyl-1H-indol-2-one
PubChem CID102522956
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-(1-hydroxypentan-3-yl)-3-methyl-1H-indol-2-one
SMILESCCC(CCO)C1(C)C(=O)Nc2ccccc21
InChIInChI=1S/C14H19NO2/c1-3-10(8-9-16)14(2)11-6-4-5-7-12(11)15-13(14)17/h4-7,10,16H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyNDSUPSGWRARSRS-UHFFFAOYSA-N
XLogP2.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3,3-dimethyl-1H-indol-2-one;ethanol
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3-butyl-3-hydroxy-1H-indol-2-one
CID 15744776
3-hydroxy-3-octyl-1H-indol-2-one
CID 83036797
(3S)-3-methyl-3-phenyl-1H-indol-2-one
CID 102419408
(3R)-3-benzyl-3-hydroxy-1H-indol-2-one
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CID 146949857
CID 146949857
2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetonitrile
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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxypentan-3-yl)-3-methyl-1H-indol-2-one?
The IUPAC name of 3-(1-hydroxypentan-3-yl)-3-methyl-1H-indol-2-one (CID 102522956) is 3-(1-hydroxypentan-3-yl)-3-methyl-1H-indol-2-one.
What is the SMILES notation for 3-(1-hydroxypentan-3-yl)-3-methyl-1H-indol-2-one?
The canonical SMILES for 3-(1-hydroxypentan-3-yl)-3-methyl-1H-indol-2-one is CCC(CCO)C1(C)C(=O)Nc2ccccc21.
What is the InChIKey of 3-(1-hydroxypentan-3-yl)-3-methyl-1H-indol-2-one?
The InChIKey is NDSUPSGWRARSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-10(8-9-16)14(2)11-6-4-5-7-12(11)15-13(14)17/h4-7,10,16H,3,8-9H2,1-2H3,(H,15,17).
What are the key properties of 3-(1-hydroxypentan-3-yl)-3-methyl-1H-indol-2-one?
3-(1-hydroxypentan-3-yl)-3-methyl-1H-indol-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxypentan-3-yl)-3-methyl-1H-indol-2-one is sourced from PubChem (CID 102522956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).