1-[3-(hydroxymethyl)indol-1-yl]ethanone

C11H11NO2 — CID 24819149

IUPAC1-[3-(hydroxymethyl)indol-1-yl]ethanone
SMILESCC(=O)n1cc(CO)c2ccccc21
InChIInChI=1S/C11H11NO2/c1-8(14)12-6-9(7-13)10-4-2-3-5-11(10)12/h2-6,13H,7H2,1H3
InChIKeyDBTMWGYRMRRCRG-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.79
Rot. Bonds1

About 1-[3-(hydroxymethyl)indol-1-yl]ethanone

1-[3-(hydroxymethyl)indol-1-yl]ethanone (PubChem CID 24819149) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)indol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)indol-1-yl]ethanone
PubChem CID24819149
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1-[3-(hydroxymethyl)indol-1-yl]ethanone
SMILESCC(=O)n1cc(CO)c2ccccc21
InChIInChI=1S/C11H11NO2/c1-8(14)12-6-9(7-13)10-4-2-3-5-11(10)12/h2-6,13H,7H2,1H3
InChIKeyDBTMWGYRMRRCRG-UHFFFAOYSA-N
XLogP1.79
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-acetylindol-3-yl)-1-phenylethanone
CID 15749679
(2-fluorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone
CID 91690338
1-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]indol-1-yl]ethanone
CID 23937849
(E)-4-(1-acetylindol-3-yl)but-3-en-2-one
CID 775095
1-[3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]indol-1-yl]ethanone
CID 171678908
3-[2-(1-acetylindol-3-yl)ethyl]quinazolin-4-one
CID 86115850
1-acetyl-N,N-diethylindole-3-carboxamide
CID 113207891
1-(3-ethylindol-1-yl)-2-iodoethanone
CID 142121181
2-(1-methoxycarbonylindol-3-yl)acetic acid
CID 58375530
(2R)-3-(1-acetylindol-3-yl)-N-(diaminomethylidene)-2-phenylpropanamide
CID 90032258
(2,4-dichlorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone
CID 91690472
2-[3-(hydroxymethyl)indol-1-yl]acetic acid
CID 15089421

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)indol-1-yl]ethanone?
The IUPAC name of 1-[3-(hydroxymethyl)indol-1-yl]ethanone (CID 24819149) is 1-[3-(hydroxymethyl)indol-1-yl]ethanone.
What is the SMILES notation for 1-[3-(hydroxymethyl)indol-1-yl]ethanone?
The canonical SMILES for 1-[3-(hydroxymethyl)indol-1-yl]ethanone is CC(=O)n1cc(CO)c2ccccc21.
What is the InChIKey of 1-[3-(hydroxymethyl)indol-1-yl]ethanone?
The InChIKey is DBTMWGYRMRRCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-8(14)12-6-9(7-13)10-4-2-3-5-11(10)12/h2-6,13H,7H2,1H3.
What are the key properties of 1-[3-(hydroxymethyl)indol-1-yl]ethanone?
1-[3-(hydroxymethyl)indol-1-yl]ethanone has a molecular weight of 189.21 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)indol-1-yl]ethanone is sourced from PubChem (CID 24819149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).