2-ethyl-2-hydroxy-1-(1H-indol-3-yl)butan-1-one

C14H17NO2 — CID 129320780

IUPAC2-ethyl-2-hydroxy-1-(1H-indol-3-yl)butan-1-one
SMILESCCC(O)(CC)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H17NO2/c1-3-14(17,4-2)13(16)11-9-15-12-8-6-5-7-10(11)12/h5-9,15,17H,3-4H2,1-2H3
InChIKeyHDHRIGLEJZHSJS-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.90
Rot. Bonds4

About 2-ethyl-2-hydroxy-1-(1H-indol-3-yl)butan-1-one

2-ethyl-2-hydroxy-1-(1H-indol-3-yl)butan-1-one (PubChem CID 129320780) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-ethyl-2-hydroxy-1-(1H-indol-3-yl)butan-1-one.

Molecular Properties

Compound Name2-ethyl-2-hydroxy-1-(1H-indol-3-yl)butan-1-one
PubChem CID129320780
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name2-ethyl-2-hydroxy-1-(1H-indol-3-yl)butan-1-one
SMILESCCC(O)(CC)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H17NO2/c1-3-14(17,4-2)13(16)11-9-15-12-8-6-5-7-10(11)12/h5-9,15,17H,3-4H2,1-2H3
InChIKeyHDHRIGLEJZHSJS-UHFFFAOYSA-N
XLogP2.90
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone
CID 91288381
N-(2-ethyl-2-hydroxybutyl)-1H-indole-3-carboxamide
CID 65110571
ethyl 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 141063038
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148
1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583
2-fluoro-1-(1H-indol-3-yl)ethanone
CID 174847348
2-bromo-1-(1H-indol-3-yl)ethanone
CID 11310936
2,3-bis(1H-indol-3-yl)but-2-enedioic acid
CID 57224094
sodium 1H-indole-3-carboxylate
CID 23698293
2-amino-2-hydroxy-1-(1H-indol-3-yl)ethanone
CID 147638405
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
methyl 2-(1H-indole-3-carbonylamino)acetate
CID 43406378

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-hydroxy-1-(1H-indol-3-yl)butan-1-one?
The IUPAC name of 2-ethyl-2-hydroxy-1-(1H-indol-3-yl)butan-1-one (CID 129320780) is 2-ethyl-2-hydroxy-1-(1H-indol-3-yl)butan-1-one.
What is the SMILES notation for 2-ethyl-2-hydroxy-1-(1H-indol-3-yl)butan-1-one?
The canonical SMILES for 2-ethyl-2-hydroxy-1-(1H-indol-3-yl)butan-1-one is CCC(O)(CC)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 2-ethyl-2-hydroxy-1-(1H-indol-3-yl)butan-1-one?
The InChIKey is HDHRIGLEJZHSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-14(17,4-2)13(16)11-9-15-12-8-6-5-7-10(11)12/h5-9,15,17H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-2-hydroxy-1-(1H-indol-3-yl)butan-1-one?
2-ethyl-2-hydroxy-1-(1H-indol-3-yl)butan-1-one has a molecular weight of 231.30 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-hydroxy-1-(1H-indol-3-yl)butan-1-one is sourced from PubChem (CID 129320780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).