1-(2-hydroxy-1H-indol-3-yl)propan-1-one

C11H11NO2 — CID 15650287

IUPAC1-(2-hydroxy-1H-indol-3-yl)propan-1-one
SMILESCCC(=O)c1c(O)[nH]c2ccccc12
InChIInChI=1S/C11H11NO2/c1-2-9(13)10-7-5-3-4-6-8(7)12-11(10)14/h3-6,12,14H,2H2,1H3
InChIKeyVCQWQPLOPUDFLX-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.47
Rot. Bonds2

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

1-(2-hydroxy-1H-indol-3-yl)propan-1-one (PubChem CID 15650287) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-(2-hydroxy-1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-hydroxy-1H-indol-3-yl)propan-1-one
PubChem CID15650287
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1-(2-hydroxy-1H-indol-3-yl)propan-1-one
SMILESCCC(=O)c1c(O)[nH]c2ccccc12
InChIInChI=1S/C11H11NO2/c1-2-9(13)10-7-5-3-4-6-8(7)12-11(10)14/h3-6,12,14H,2H2,1H3
InChIKeyVCQWQPLOPUDFLX-UHFFFAOYSA-N
XLogP2.47
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-propanoyl-1H-indole-2-carboxylate
CID 23245117
3-(N-ethyl-C-methylcarbonimidoyl)-1H-indol-2-ol
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1-(2-hydroxy-1H-indol-3-yl)-2-thiophen-3-ylethanone
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9H-carbazole;propanoic acid
CID 68841226
N-[1-(2-hydroxy-1H-indol-3-yl)pentylidene]benzamide
CID 136709035
methyl 2-hydroxy-1H-indole-3-carbodithioate
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1-(2-methyl-1H-indol-3-yl)pentan-1-one
CID 4682217
1-[2-[ethyl(methyl)amino]-1H-indol-3-yl]ethanone
CID 115146258
2-(2-hydroxy-1H-indol-3-yl)-2-oxo-N-phenylacetamide
CID 44713902
1-(2-methyl-1H-indol-3-yl)nonan-1-one
CID 65449117
ethyl 2-amino-1H-indole-3-carboxylate
CID 1476606
N-(2-hydroxy-1H-indol-3-yl)acetamide
CID 3244306

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1H-indol-3-yl)propan-1-one?
The IUPAC name of 1-(2-hydroxy-1H-indol-3-yl)propan-1-one (CID 15650287) is 1-(2-hydroxy-1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 1-(2-hydroxy-1H-indol-3-yl)propan-1-one?
The canonical SMILES for 1-(2-hydroxy-1H-indol-3-yl)propan-1-one is CCC(=O)c1c(O)[nH]c2ccccc12.
What is the InChIKey of 1-(2-hydroxy-1H-indol-3-yl)propan-1-one?
The InChIKey is VCQWQPLOPUDFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-2-9(13)10-7-5-3-4-6-8(7)12-11(10)14/h3-6,12,14H,2H2,1H3.
What are the key properties of 1-(2-hydroxy-1H-indol-3-yl)propan-1-one?
1-(2-hydroxy-1H-indol-3-yl)propan-1-one has a molecular weight of 189.21 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 15650287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).