methyl indole-3a-carboxylate;hydrochloride

C10H10ClNO2 — CID 141000683

IUPACmethyl indole-3a-carboxylate;hydrochloride
SMILESCOC(=O)C12C=CC=CC1=NC=C2.Cl
InChIInChI=1S/C10H9NO2.ClH/c1-13-9(12)10-5-3-2-4-8(10)11-7-6-10;/h2-7H,1H3;1H
InChIKeyQUHGRXBJKDGDBH-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.66
Rot. Bonds1

About methyl indole-3a-carboxylate;hydrochloride

methyl indole-3a-carboxylate;hydrochloride (PubChem CID 141000683) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is methyl indole-3a-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl indole-3a-carboxylate;hydrochloride
PubChem CID141000683
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Namemethyl indole-3a-carboxylate;hydrochloride
SMILESCOC(=O)C12C=CC=CC1=NC=C2.Cl
InChIInChI=1S/C10H9NO2.ClH/c1-13-9(12)10-5-3-2-4-8(10)11-7-6-10;/h2-7H,1H3;1H
InChIKeyQUHGRXBJKDGDBH-UHFFFAOYSA-N
XLogP1.66
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl indole-3a-carboxylate;hydrochloride 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 methyl indole-3a-carboxylate;hydrochloride?
The IUPAC name of methyl indole-3a-carboxylate;hydrochloride (CID 141000683) is methyl indole-3a-carboxylate;hydrochloride.
What is the SMILES notation for methyl indole-3a-carboxylate;hydrochloride?
The canonical SMILES for methyl indole-3a-carboxylate;hydrochloride is COC(=O)C12C=CC=CC1=NC=C2.Cl.
What is the InChIKey of methyl indole-3a-carboxylate;hydrochloride?
The InChIKey is QUHGRXBJKDGDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2.ClH/c1-13-9(12)10-5-3-2-4-8(10)11-7-6-10;/h2-7H,1H3;1H.
What are the key properties of methyl indole-3a-carboxylate;hydrochloride?
methyl indole-3a-carboxylate;hydrochloride has a molecular weight of 211.65 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl indole-3a-carboxylate;hydrochloride is sourced from PubChem (CID 141000683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).