4-(hydroxymethyl)-1H-indole-2,3-dione

C9H7NO3 — CID 69380666

IUPAC4-(hydroxymethyl)-1H-indole-2,3-dione
SMILESO=C1Nc2cccc(CO)c2C1=O
InChIInChI=1S/C9H7NO3/c11-4-5-2-1-3-6-7(5)8(12)9(13)10-6/h1-3,11H,4H2,(H,10,12,13)
InChIKeyQSNIXJZFEINDFD-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.31
Rot. Bonds1

About 4-(hydroxymethyl)-1H-indole-2,3-dione

4-(hydroxymethyl)-1H-indole-2,3-dione (PubChem CID 69380666) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1H-indole-2,3-dione.

Molecular Properties

Compound Name4-(hydroxymethyl)-1H-indole-2,3-dione
PubChem CID69380666
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name4-(hydroxymethyl)-1H-indole-2,3-dione
SMILESO=C1Nc2cccc(CO)c2C1=O
InChIInChI=1S/C9H7NO3/c11-4-5-2-1-3-6-7(5)8(12)9(13)10-6/h1-3,11H,4H2,(H,10,12,13)
InChIKeyQSNIXJZFEINDFD-UHFFFAOYSA-N
XLogP0.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 4-(hydroxymethyl)-1H-indole-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-Hydroxyethyl)indolin-2-one
CID 10943004
2-oxo-2,3-dihydro-1H-indole-4-carboxylic acid
CID 10397329
5-Hydroxyisatin
CID 10352011
2,3-Dioxoindoline-6-carboxylic acid
CID 46941538
5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1H-indole-2,3-dione
CID 87671246
3,3-Difluoro-4-(1-hydroxyethyl)-1,3-dihydro-2H-indol-2-one
CID 117836996
3,3-Difluoro-4-(hydroxymethyl)-1,3-dihydro-2H-indol-2-one
CID 117837024
3,3,5-Trifluoro-4-(1-hydroxyethyl)-1,3-dihydro-2H-indol-2-one
CID 117837043
3,3-difluoro-4-[(1R)-1-hydroxyethyl]-1H-indol-2-one
CID 117837052
3,3-Difluoro-4-(1-hydroxypropyl)-1,3-dihydro-2H-indol-2-one
CID 117837054
3,3-Difluoro-4-[(1S)-1-hydroxyethyl]-1,3-dihydro-2H-indol-2-one
CID 117837096
4-(2,2-Difluoro-1-hydroxyethyl)-3,3,7-trifluoro-1,3-dihydro-2H-indol-2-one
CID 121361828

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1H-indole-2,3-dione?
The IUPAC name of 4-(hydroxymethyl)-1H-indole-2,3-dione (CID 69380666) is 4-(hydroxymethyl)-1H-indole-2,3-dione.
What is the SMILES notation for 4-(hydroxymethyl)-1H-indole-2,3-dione?
The canonical SMILES for 4-(hydroxymethyl)-1H-indole-2,3-dione is O=C1Nc2cccc(CO)c2C1=O.
What is the InChIKey of 4-(hydroxymethyl)-1H-indole-2,3-dione?
The InChIKey is QSNIXJZFEINDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3/c11-4-5-2-1-3-6-7(5)8(12)9(13)10-6/h1-3,11H,4H2,(H,10,12,13).
What are the key properties of 4-(hydroxymethyl)-1H-indole-2,3-dione?
4-(hydroxymethyl)-1H-indole-2,3-dione has a molecular weight of 177.16 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1H-indole-2,3-dione is sourced from PubChem (CID 69380666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).