4-hydroxy-3-methylindol-2-one

C9H7NO2 — CID 175302874

IUPAC4-hydroxy-3-methylindol-2-one
SMILESCC1=c2c(O)cccc2=NC1=O
InChIInChI=1S/C9H7NO2/c1-5-8-6(10-9(5)12)3-2-4-7(8)11/h2-4,11H,1H3
InChIKeyHZFQQSIRKCNUOD-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.28
Rot. Bonds

About 4-hydroxy-3-methylindol-2-one

4-hydroxy-3-methylindol-2-one (PubChem CID 175302874) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 4-hydroxy-3-methylindol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-methylindol-2-one
PubChem CID175302874
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name4-hydroxy-3-methylindol-2-one
SMILESCC1=c2c(O)cccc2=NC1=O
InChIInChI=1S/C9H7NO2/c1-5-8-6(10-9(5)12)3-2-4-7(8)11/h2-4,11H,1H3
InChIKeyHZFQQSIRKCNUOD-UHFFFAOYSA-N
XLogP-0.28
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methylindol-2-one?
The IUPAC name of 4-hydroxy-3-methylindol-2-one (CID 175302874) is 4-hydroxy-3-methylindol-2-one.
What is the SMILES notation for 4-hydroxy-3-methylindol-2-one?
The canonical SMILES for 4-hydroxy-3-methylindol-2-one is CC1=c2c(O)cccc2=NC1=O.
What is the InChIKey of 4-hydroxy-3-methylindol-2-one?
The InChIKey is HZFQQSIRKCNUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c1-5-8-6(10-9(5)12)3-2-4-7(8)11/h2-4,11H,1H3.
What are the key properties of 4-hydroxy-3-methylindol-2-one?
4-hydroxy-3-methylindol-2-one has a molecular weight of 161.16 g/mol, XLogP of -0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methylindol-2-one is sourced from PubChem (CID 175302874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).