3-(2-hydroxybutyl)-1,3-dimethylindol-2-one

C14H19NO2 — CID 102528889

IUPAC3-(2-hydroxybutyl)-1,3-dimethylindol-2-one
SMILESCCC(O)CC1(C)C(=O)N(C)c2ccccc21
InChIInChI=1S/C14H19NO2/c1-4-10(16)9-14(2)11-7-5-6-8-12(11)15(3)13(14)17/h5-8,10,16H,4,9H2,1-3H3
InChIKeyQFVLOYOOVWDIAM-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.08
Rot. Bonds3

About 3-(2-hydroxybutyl)-1,3-dimethylindol-2-one

3-(2-hydroxybutyl)-1,3-dimethylindol-2-one (PubChem CID 102528889) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(2-hydroxybutyl)-1,3-dimethylindol-2-one.

Molecular Properties

Compound Name3-(2-hydroxybutyl)-1,3-dimethylindol-2-one
PubChem CID102528889
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-(2-hydroxybutyl)-1,3-dimethylindol-2-one
SMILESCCC(O)CC1(C)C(=O)N(C)c2ccccc21
InChIInChI=1S/C14H19NO2/c1-4-10(16)9-14(2)11-7-5-6-8-12(11)15(3)13(14)17/h5-8,10,16H,4,9H2,1-3H3
InChIKeyQFVLOYOOVWDIAM-UHFFFAOYSA-N
XLogP2.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(2,2-dichloroethyl)-1,3-dimethylindol-2-one
CID 102335587
3-ethyl-1,3-dimethylindol-2-one
CID 14449303
3-(1,3-dimethyl-2-oxoindol-3-yl)-2-methylpropanenitrile
CID 162413977
2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid
CID 167685372
3-(2,3-dimethoxypropyl)-1,3-dimethylindol-2-one
CID 175686972
2-(1,3-dimethyl-2-oxoindol-3-yl)acetaldehyde
CID 11183300
(3S)-1,3-dimethyl-3-(methylsulfonylmethyl)indol-2-one
CID 125478862
(3R)-3-[2-(dimethylamino)ethyl]-1,3-dimethylindol-2-one
CID 97356041
1-(1,3-dimethyl-2-oxoindol-3-yl)nonane-2,7-dione
CID 175687035
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
(3S)-1,3-dimethyl-3-(phenylselanylmethyl)indol-2-one
CID 164682274
5-(1,3-dimethyl-2-oxoindol-3-yl)pentanenitrile
CID 154710024

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxybutyl)-1,3-dimethylindol-2-one?
The IUPAC name of 3-(2-hydroxybutyl)-1,3-dimethylindol-2-one (CID 102528889) is 3-(2-hydroxybutyl)-1,3-dimethylindol-2-one.
What is the SMILES notation for 3-(2-hydroxybutyl)-1,3-dimethylindol-2-one?
The canonical SMILES for 3-(2-hydroxybutyl)-1,3-dimethylindol-2-one is CCC(O)CC1(C)C(=O)N(C)c2ccccc21.
What is the InChIKey of 3-(2-hydroxybutyl)-1,3-dimethylindol-2-one?
The InChIKey is QFVLOYOOVWDIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-10(16)9-14(2)11-7-5-6-8-12(11)15(3)13(14)17/h5-8,10,16H,4,9H2,1-3H3.
What are the key properties of 3-(2-hydroxybutyl)-1,3-dimethylindol-2-one?
3-(2-hydroxybutyl)-1,3-dimethylindol-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxybutyl)-1,3-dimethylindol-2-one is sourced from PubChem (CID 102528889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).