5-hydroxyindol-2-one

C8H5NO2 — CID 19068933

IUPAC5-hydroxyindol-2-one
SMILESO=C1C=c2cc(O)ccc2=N1
InChIInChI=1S/C8H5NO2/c10-6-1-2-7-5(3-6)4-8(11)9-7/h1-4,10H
InChIKeyIQOWTSJNJKSGNM-UHFFFAOYSA-N
MW147.13 g/mol
LogP-0.67
Rot. Bonds

About 5-hydroxyindol-2-one

5-hydroxyindol-2-one (PubChem CID 19068933) has the molecular formula C8H5NO2 and a molecular weight of 147.13 g/mol. Its IUPAC name is 5-hydroxyindol-2-one.

Molecular Properties

Compound Name5-hydroxyindol-2-one
PubChem CID19068933
Molecular FormulaC8H5NO2
Molecular Weight147.13 g/mol
Exact Mass147.03
IUPAC Name5-hydroxyindol-2-one
SMILESO=C1C=c2cc(O)ccc2=N1
InChIInChI=1S/C8H5NO2/c10-6-1-2-7-5(3-6)4-8(11)9-7/h1-4,10H
InChIKeyIQOWTSJNJKSGNM-UHFFFAOYSA-N
XLogP-0.67
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxyindol-2-one?
The IUPAC name of 5-hydroxyindol-2-one (CID 19068933) is 5-hydroxyindol-2-one.
What is the SMILES notation for 5-hydroxyindol-2-one?
The canonical SMILES for 5-hydroxyindol-2-one is O=C1C=c2cc(O)ccc2=N1.
What is the InChIKey of 5-hydroxyindol-2-one?
The InChIKey is IQOWTSJNJKSGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2/c10-6-1-2-7-5(3-6)4-8(11)9-7/h1-4,10H.
What are the key properties of 5-hydroxyindol-2-one?
5-hydroxyindol-2-one has a molecular weight of 147.13 g/mol, XLogP of -0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxyindol-2-one is sourced from PubChem (CID 19068933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).