2-(aminooxymethyl)-1H-indol-5-ol

C9H10N2O2 — CID 117195343

IUPAC2-(aminooxymethyl)-1H-indol-5-ol
SMILESNOCc1cc2cc(O)ccc2[nH]1
InChIInChI=1S/C9H10N2O2/c10-13-5-7-3-6-4-8(12)1-2-9(6)11-7/h1-4,11-12H,5,10H2
InChIKeyYEWVIVKMILUPMF-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.26
Rot. Bonds2

About 2-(aminooxymethyl)-1H-indol-5-ol

2-(aminooxymethyl)-1H-indol-5-ol (PubChem CID 117195343) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-(aminooxymethyl)-1H-indol-5-ol.

Molecular Properties

Compound Name2-(aminooxymethyl)-1H-indol-5-ol
PubChem CID117195343
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name2-(aminooxymethyl)-1H-indol-5-ol
SMILESNOCc1cc2cc(O)ccc2[nH]1
InChIInChI=1S/C9H10N2O2/c10-13-5-7-3-6-4-8(12)1-2-9(6)11-7/h1-4,11-12H,5,10H2
InChIKeyYEWVIVKMILUPMF-UHFFFAOYSA-N
XLogP1.26
TPSA71.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(aminooxymethyl)-1H-indol-5-ol 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

2-(aminomethyl)-1H-indol-5-ol
CID 14906013
2-(5-hydroxy-1H-indol-2-yl)acetonitrile
CID 84766177
2-(5-hydroxy-1H-indol-2-yl)acetaldehyde
CID 22134437
2-(methylaminomethyl)-1H-indol-5-ol
CID 14906015
2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indol-5-ol
CID 117176788
1H-indole-2,5-diol
CID 45082883
ethyl 2-amino-3-(5-hydroxy-1H-indol-2-yl)propanoate;hydrochloride
CID 22402659
methyl 3-(5-hydroxy-1H-indol-2-yl)-2,2-dimethylpropanoate
CID 18947616
4-[(5-methyl-1H-indol-2-yl)methoxy]phenol
CID 117185406
3-(5-hydroxy-1H-indol-2-yl)-2,2-dimethylpropanoic acid
CID 117195358
5-hydroxy-1H-indole-2-carbohydrazide
CID 10877952
(5-methoxy-1H-indol-2-yl)methyl acetate
CID 22766960

Frequently Asked Questions

What is the IUPAC name of 2-(aminooxymethyl)-1H-indol-5-ol?
The IUPAC name of 2-(aminooxymethyl)-1H-indol-5-ol (CID 117195343) is 2-(aminooxymethyl)-1H-indol-5-ol.
What is the SMILES notation for 2-(aminooxymethyl)-1H-indol-5-ol?
The canonical SMILES for 2-(aminooxymethyl)-1H-indol-5-ol is NOCc1cc2cc(O)ccc2[nH]1.
What is the InChIKey of 2-(aminooxymethyl)-1H-indol-5-ol?
The InChIKey is YEWVIVKMILUPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c10-13-5-7-3-6-4-8(12)1-2-9(6)11-7/h1-4,11-12H,5,10H2.
What are the key properties of 2-(aminooxymethyl)-1H-indol-5-ol?
2-(aminooxymethyl)-1H-indol-5-ol has a molecular weight of 178.19 g/mol, XLogP of 1.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminooxymethyl)-1H-indol-5-ol is sourced from PubChem (CID 117195343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).