3-(prop-2-enyliminomethyl)-1H-indol-2-ol

C12H12N2O — CID 2859790

IUPAC3-(prop-2-enyliminomethyl)-1H-indol-2-ol
SMILESC=CC/N=C/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C12H12N2O/c1-2-7-13-8-10-9-5-3-4-6-11(9)14-12(10)15/h2-6,8,14-15H,1,7H2/b13-8+
InChIKeyQIRZDVUWFVGXHG-MDWZMJQESA-N
MW200.24 g/mol
LogP2.48
Rot. Bonds3

About 3-(prop-2-enyliminomethyl)-1H-indol-2-ol

3-(prop-2-enyliminomethyl)-1H-indol-2-ol (PubChem CID 2859790) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-(prop-2-enyliminomethyl)-1H-indol-2-ol.

Molecular Properties

Compound Name3-(prop-2-enyliminomethyl)-1H-indol-2-ol
PubChem CID2859790
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name3-(prop-2-enyliminomethyl)-1H-indol-2-ol
SMILESC=CC/N=C/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C12H12N2O/c1-2-7-13-8-10-9-5-3-4-6-11(9)14-12(10)15/h2-6,8,14-15H,1,7H2/b13-8+
InChIKeyQIRZDVUWFVGXHG-MDWZMJQESA-N
XLogP2.48
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(prop-2-enyliminomethyl)-1H-indol-2-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 3-(prop-2-enyliminomethyl)-1H-indol-2-ol?
The IUPAC name of 3-(prop-2-enyliminomethyl)-1H-indol-2-ol (CID 2859790) is 3-(prop-2-enyliminomethyl)-1H-indol-2-ol.
What is the SMILES notation for 3-(prop-2-enyliminomethyl)-1H-indol-2-ol?
The canonical SMILES for 3-(prop-2-enyliminomethyl)-1H-indol-2-ol is C=CC/N=C/c1c(O)[nH]c2ccccc12.
What is the InChIKey of 3-(prop-2-enyliminomethyl)-1H-indol-2-ol?
The InChIKey is QIRZDVUWFVGXHG-MDWZMJQESA-N. The full InChI is InChI=1S/C12H12N2O/c1-2-7-13-8-10-9-5-3-4-6-11(9)14-12(10)15/h2-6,8,14-15H,1,7H2/b13-8+.
What are the key properties of 3-(prop-2-enyliminomethyl)-1H-indol-2-ol?
3-(prop-2-enyliminomethyl)-1H-indol-2-ol has a molecular weight of 200.24 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-2-enyliminomethyl)-1H-indol-2-ol is sourced from PubChem (CID 2859790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).