methyl 3-(6-methyl-2,3-dihydroindol-1-yl)propanoate;hydrochloride

C13H18ClNO2 — CID 130247138

IUPACmethyl 3-(6-methyl-2,3-dihydroindol-1-yl)propanoate;hydrochloride
SMILESCOC(=O)CCN1CCc2ccc(C)cc21.Cl
InChIInChI=1S/C13H17NO2.ClH/c1-10-3-4-11-5-7-14(12(11)9-10)8-6-13(15)16-2;/h3-4,9H,5-8H2,1-2H3;1H
InChIKeyNLUUJBMTORGTDE-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.34
Rot. Bonds3

About methyl 3-(6-methyl-2,3-dihydroindol-1-yl)propanoate;hydrochloride

methyl 3-(6-methyl-2,3-dihydroindol-1-yl)propanoate;hydrochloride (PubChem CID 130247138) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is methyl 3-(6-methyl-2,3-dihydroindol-1-yl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-(6-methyl-2,3-dihydroindol-1-yl)propanoate;hydrochloride
PubChem CID130247138
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Namemethyl 3-(6-methyl-2,3-dihydroindol-1-yl)propanoate;hydrochloride
SMILESCOC(=O)CCN1CCc2ccc(C)cc21.Cl
InChIInChI=1S/C13H17NO2.ClH/c1-10-3-4-11-5-7-14(12(11)9-10)8-6-13(15)16-2;/h3-4,9H,5-8H2,1-2H3;1H
InChIKeyNLUUJBMTORGTDE-UHFFFAOYSA-N
XLogP2.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-(6-methyl-2,3-dihydroindol-1-yl)propanoate;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 3-(6-methyl-2,3-dihydroindol-1-yl)propanoate;hydrochloride?
The IUPAC name of methyl 3-(6-methyl-2,3-dihydroindol-1-yl)propanoate;hydrochloride (CID 130247138) is methyl 3-(6-methyl-2,3-dihydroindol-1-yl)propanoate;hydrochloride.
What is the SMILES notation for methyl 3-(6-methyl-2,3-dihydroindol-1-yl)propanoate;hydrochloride?
The canonical SMILES for methyl 3-(6-methyl-2,3-dihydroindol-1-yl)propanoate;hydrochloride is COC(=O)CCN1CCc2ccc(C)cc21.Cl.
What is the InChIKey of methyl 3-(6-methyl-2,3-dihydroindol-1-yl)propanoate;hydrochloride?
The InChIKey is NLUUJBMTORGTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2.ClH/c1-10-3-4-11-5-7-14(12(11)9-10)8-6-13(15)16-2;/h3-4,9H,5-8H2,1-2H3;1H.
What are the key properties of methyl 3-(6-methyl-2,3-dihydroindol-1-yl)propanoate;hydrochloride?
methyl 3-(6-methyl-2,3-dihydroindol-1-yl)propanoate;hydrochloride has a molecular weight of 255.74 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-methyl-2,3-dihydroindol-1-yl)propanoate;hydrochloride is sourced from PubChem (CID 130247138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).