4-hydroxyindol-2-one

C8H5NO2 — CID 140641372

IUPAC4-hydroxyindol-2-one
SMILESO=C1C=c2c(O)cccc2=N1
InChIInChI=1S/C8H5NO2/c10-7-3-1-2-6-5(7)4-8(11)9-6/h1-4,10H
InChIKeyZLOWYVVORWSOBG-UHFFFAOYSA-N
MW147.13 g/mol
LogP-0.67
Rot. Bonds

About 4-hydroxyindol-2-one

4-hydroxyindol-2-one (PubChem CID 140641372) has the molecular formula C8H5NO2 and a molecular weight of 147.13 g/mol. Its IUPAC name is 4-hydroxyindol-2-one.

Molecular Properties

Compound Name4-hydroxyindol-2-one
PubChem CID140641372
Molecular FormulaC8H5NO2
Molecular Weight147.13 g/mol
Exact Mass147.03
IUPAC Name4-hydroxyindol-2-one
SMILESO=C1C=c2c(O)cccc2=N1
InChIInChI=1S/C8H5NO2/c10-7-3-1-2-6-5(7)4-8(11)9-6/h1-4,10H
InChIKeyZLOWYVVORWSOBG-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 4-hydroxyindol-2-one?
The IUPAC name of 4-hydroxyindol-2-one (CID 140641372) is 4-hydroxyindol-2-one.
What is the SMILES notation for 4-hydroxyindol-2-one?
The canonical SMILES for 4-hydroxyindol-2-one is O=C1C=c2c(O)cccc2=N1.
What is the InChIKey of 4-hydroxyindol-2-one?
The InChIKey is ZLOWYVVORWSOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2/c10-7-3-1-2-6-5(7)4-8(11)9-6/h1-4,10H.
What are the key properties of 4-hydroxyindol-2-one?
4-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 4-hydroxyindol-2-one is sourced from PubChem (CID 140641372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).