7-(aminomethyl)-1H-indol-6-ol

C9H10N2O — CID 82415292

IUPAC7-(aminomethyl)-1H-indol-6-ol
SMILESNCc1c(O)ccc2cc[nH]c12
InChIInChI=1S/C9H10N2O/c10-5-7-8(12)2-1-6-3-4-11-9(6)7/h1-4,11-12H,5,10H2
InChIKeyDNGOONSETQJGKQ-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.33
Rot. Bonds1

About 7-(aminomethyl)-1H-indol-6-ol

7-(aminomethyl)-1H-indol-6-ol (PubChem CID 82415292) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 7-(aminomethyl)-1H-indol-6-ol.

Molecular Properties

Compound Name7-(aminomethyl)-1H-indol-6-ol
PubChem CID82415292
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name7-(aminomethyl)-1H-indol-6-ol
SMILESNCc1c(O)ccc2cc[nH]c12
InChIInChI=1S/C9H10N2O/c10-5-7-8(12)2-1-6-3-4-11-9(6)7/h1-4,11-12H,5,10H2
InChIKeyDNGOONSETQJGKQ-UHFFFAOYSA-N
XLogP1.33
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 7-(aminomethyl)-1H-indol-6-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-1H-indol-6-ol?
The IUPAC name of 7-(aminomethyl)-1H-indol-6-ol (CID 82415292) is 7-(aminomethyl)-1H-indol-6-ol.
What is the SMILES notation for 7-(aminomethyl)-1H-indol-6-ol?
The canonical SMILES for 7-(aminomethyl)-1H-indol-6-ol is NCc1c(O)ccc2cc[nH]c12.
What is the InChIKey of 7-(aminomethyl)-1H-indol-6-ol?
The InChIKey is DNGOONSETQJGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c10-5-7-8(12)2-1-6-3-4-11-9(6)7/h1-4,11-12H,5,10H2.
What are the key properties of 7-(aminomethyl)-1H-indol-6-ol?
7-(aminomethyl)-1H-indol-6-ol has a molecular weight of 162.19 g/mol, XLogP of 1.33, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-1H-indol-6-ol is sourced from PubChem (CID 82415292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).