3-(hydroxymethyl)indol-2-one

C9H7NO2 — CID 154303029

IUPAC3-(hydroxymethyl)indol-2-one
SMILESO=C1N=c2ccccc2=C1CO
InChIInChI=1S/C9H7NO2/c11-5-7-6-3-1-2-4-8(6)10-9(7)12/h1-4,11H,5H2
InChIKeyLZOOTIFZCGDQLT-UHFFFAOYSA-N
MW161.16 g/mol
LogP-1.01
Rot. Bonds1

About 3-(hydroxymethyl)indol-2-one

3-(hydroxymethyl)indol-2-one (PubChem CID 154303029) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 3-(hydroxymethyl)indol-2-one.

Molecular Properties

Compound Name3-(hydroxymethyl)indol-2-one
PubChem CID154303029
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name3-(hydroxymethyl)indol-2-one
SMILESO=C1N=c2ccccc2=C1CO
InChIInChI=1S/C9H7NO2/c11-5-7-6-3-1-2-4-8(6)10-9(7)12/h1-4,11H,5H2
InChIKeyLZOOTIFZCGDQLT-UHFFFAOYSA-N
XLogP-1.01
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)indol-2-one?
The IUPAC name of 3-(hydroxymethyl)indol-2-one (CID 154303029) is 3-(hydroxymethyl)indol-2-one.
What is the SMILES notation for 3-(hydroxymethyl)indol-2-one?
The canonical SMILES for 3-(hydroxymethyl)indol-2-one is O=C1N=c2ccccc2=C1CO.
What is the InChIKey of 3-(hydroxymethyl)indol-2-one?
The InChIKey is LZOOTIFZCGDQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c11-5-7-6-3-1-2-4-8(6)10-9(7)12/h1-4,11H,5H2.
What are the key properties of 3-(hydroxymethyl)indol-2-one?
3-(hydroxymethyl)indol-2-one has a molecular weight of 161.16 g/mol, XLogP of -1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)indol-2-one is sourced from PubChem (CID 154303029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).