3-(2-hydroxyethyliminomethyl)-1H-indol-2-ol

C11H12N2O2 — CID 2034851

IUPAC3-(2-hydroxyethyliminomethyl)-1H-indol-2-ol
SMILESOCC/N=C/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C11H12N2O2/c14-6-5-12-7-9-8-3-1-2-4-10(8)13-11(9)15/h1-4,7,13-15H,5-6H2/b12-7+
InChIKeyQVLABDVFFKPPGN-KPKJPENVSA-N
MW204.23 g/mol
LogP1.28
Rot. Bonds3

About 3-(2-hydroxyethyliminomethyl)-1H-indol-2-ol

3-(2-hydroxyethyliminomethyl)-1H-indol-2-ol (PubChem CID 2034851) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-(2-hydroxyethyliminomethyl)-1H-indol-2-ol.

Molecular Properties

Compound Name3-(2-hydroxyethyliminomethyl)-1H-indol-2-ol
PubChem CID2034851
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-(2-hydroxyethyliminomethyl)-1H-indol-2-ol
SMILESOCC/N=C/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C11H12N2O2/c14-6-5-12-7-9-8-3-1-2-4-10(8)13-11(9)15/h1-4,7,13-15H,5-6H2/b12-7+
InChIKeyQVLABDVFFKPPGN-KPKJPENVSA-N
XLogP1.28
TPSA68.61 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyliminomethyl)-1H-indol-2-ol?
The IUPAC name of 3-(2-hydroxyethyliminomethyl)-1H-indol-2-ol (CID 2034851) is 3-(2-hydroxyethyliminomethyl)-1H-indol-2-ol.
What is the SMILES notation for 3-(2-hydroxyethyliminomethyl)-1H-indol-2-ol?
The canonical SMILES for 3-(2-hydroxyethyliminomethyl)-1H-indol-2-ol is OCC/N=C/c1c(O)[nH]c2ccccc12.
What is the InChIKey of 3-(2-hydroxyethyliminomethyl)-1H-indol-2-ol?
The InChIKey is QVLABDVFFKPPGN-KPKJPENVSA-N. The full InChI is InChI=1S/C11H12N2O2/c14-6-5-12-7-9-8-3-1-2-4-10(8)13-11(9)15/h1-4,7,13-15H,5-6H2/b12-7+.
What are the key properties of 3-(2-hydroxyethyliminomethyl)-1H-indol-2-ol?
3-(2-hydroxyethyliminomethyl)-1H-indol-2-ol has a molecular weight of 204.23 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyliminomethyl)-1H-indol-2-ol is sourced from PubChem (CID 2034851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).