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

C10H10N2O — CID 135959419

IUPAC3-(methyliminomethyl)-1H-indol-2-ol
SMILESC/N=C/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C10H10N2O/c1-11-6-8-7-4-2-3-5-9(7)12-10(8)13/h2-6,12-13H,1H3/b11-6+
InChIKeyWIHKMWCRAUMQTD-IZZDOVSWSA-N
MW174.20 g/mol
LogP1.92
Rot. Bonds1

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

3-(methyliminomethyl)-1H-indol-2-ol (PubChem CID 135959419) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-(methyliminomethyl)-1H-indol-2-ol.

Molecular Properties

Compound Name3-(methyliminomethyl)-1H-indol-2-ol
PubChem CID135959419
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name3-(methyliminomethyl)-1H-indol-2-ol
SMILESC/N=C/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C10H10N2O/c1-11-6-8-7-4-2-3-5-9(7)12-10(8)13/h2-6,12-13H,1H3/b11-6+
InChIKeyWIHKMWCRAUMQTD-IZZDOVSWSA-N
XLogP1.92
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(methyliminomethyl)-1H-indol-2-ol?
The IUPAC name of 3-(methyliminomethyl)-1H-indol-2-ol (CID 135959419) is 3-(methyliminomethyl)-1H-indol-2-ol.
What is the SMILES notation for 3-(methyliminomethyl)-1H-indol-2-ol?
The canonical SMILES for 3-(methyliminomethyl)-1H-indol-2-ol is C/N=C/c1c(O)[nH]c2ccccc12.
What is the InChIKey of 3-(methyliminomethyl)-1H-indol-2-ol?
The InChIKey is WIHKMWCRAUMQTD-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H10N2O/c1-11-6-8-7-4-2-3-5-9(7)12-10(8)13/h2-6,12-13H,1H3/b11-6+.
What are the key properties of 3-(methyliminomethyl)-1H-indol-2-ol?
3-(methyliminomethyl)-1H-indol-2-ol has a molecular weight of 174.20 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methyliminomethyl)-1H-indol-2-ol is sourced from PubChem (CID 135959419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).