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

C15H21NO2 — CID 102522957

IUPAC3-(1-hydroxyhexan-3-yl)-3-methyl-1H-indol-2-one
SMILESCCCC(CCO)C1(C)C(=O)Nc2ccccc21
InChIInChI=1S/C15H21NO2/c1-3-6-11(9-10-17)15(2)12-7-4-5-8-13(12)16-14(15)18/h4-5,7-8,11,17H,3,6,9-10H2,1-2H3,(H,16,18)
InChIKeyBYVXBJPDZSAAOP-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.70
Rot. Bonds5

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

3-(1-hydroxyhexan-3-yl)-3-methyl-1H-indol-2-one (PubChem CID 102522957) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(1-hydroxyhexan-3-yl)-3-methyl-1H-indol-2-one.

Molecular Properties

Compound Name3-(1-hydroxyhexan-3-yl)-3-methyl-1H-indol-2-one
PubChem CID102522957
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-(1-hydroxyhexan-3-yl)-3-methyl-1H-indol-2-one
SMILESCCCC(CCO)C1(C)C(=O)Nc2ccccc21
InChIInChI=1S/C15H21NO2/c1-3-6-11(9-10-17)15(2)12-7-4-5-8-13(12)16-14(15)18/h4-5,7-8,11,17H,3,6,9-10H2,1-2H3,(H,16,18)
InChIKeyBYVXBJPDZSAAOP-UHFFFAOYSA-N
XLogP2.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-hydroxypentan-3-yl)-3-methyl-1H-indol-2-one
CID 102522956
3-butan-2-yl-3-methyl-1H-indol-2-one
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3,3-dimethyl-1H-indol-2-one;ethanol
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3-ethyl-3-propan-2-yl-1H-indol-2-one
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N-(3-methyl-2-oxo-1H-indol-3-yl)propanamide
CID 148811384
3-butyl-3-hydroxy-1H-indol-2-one
CID 15744776
3-hydroxy-3-octyl-1H-indol-2-one
CID 83036797
CID 146949857
CID 146949857
ethyl 3-fluoro-2-oxo-1H-indole-3-carboxylate
CID 11195429
3-hydroxy-3-(1-nitropropyl)-1H-indol-2-one
CID 2898239
(3S)-3-methyl-3-phenyl-1H-indol-2-one
CID 102419408
(3R)-3-benzyl-3-hydroxy-1H-indol-2-one
CID 139192718

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyhexan-3-yl)-3-methyl-1H-indol-2-one?
The IUPAC name of 3-(1-hydroxyhexan-3-yl)-3-methyl-1H-indol-2-one (CID 102522957) is 3-(1-hydroxyhexan-3-yl)-3-methyl-1H-indol-2-one.
What is the SMILES notation for 3-(1-hydroxyhexan-3-yl)-3-methyl-1H-indol-2-one?
The canonical SMILES for 3-(1-hydroxyhexan-3-yl)-3-methyl-1H-indol-2-one is CCCC(CCO)C1(C)C(=O)Nc2ccccc21.
What is the InChIKey of 3-(1-hydroxyhexan-3-yl)-3-methyl-1H-indol-2-one?
The InChIKey is BYVXBJPDZSAAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-6-11(9-10-17)15(2)12-7-4-5-8-13(12)16-14(15)18/h4-5,7-8,11,17H,3,6,9-10H2,1-2H3,(H,16,18).
What are the key properties of 3-(1-hydroxyhexan-3-yl)-3-methyl-1H-indol-2-one?
3-(1-hydroxyhexan-3-yl)-3-methyl-1H-indol-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyhexan-3-yl)-3-methyl-1H-indol-2-one is sourced from PubChem (CID 102522957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).