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

C12H16ClNO2 — CID 130248626

IUPACmethyl 3-(2,3-dihydroindol-1-yl)propanoate;hydrochloride
SMILESCOC(=O)CCN1CCc2ccccc21.Cl
InChIInChI=1S/C12H15NO2.ClH/c1-15-12(14)7-9-13-8-6-10-4-2-3-5-11(10)13;/h2-5H,6-9H2,1H3;1H
InChIKeyKSLOOBRWHWNROU-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.03
Rot. Bonds3

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

methyl 3-(2,3-dihydroindol-1-yl)propanoate;hydrochloride (PubChem CID 130248626) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is methyl 3-(2,3-dihydroindol-1-yl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-(2,3-dihydroindol-1-yl)propanoate;hydrochloride
PubChem CID130248626
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Namemethyl 3-(2,3-dihydroindol-1-yl)propanoate;hydrochloride
SMILESCOC(=O)CCN1CCc2ccccc21.Cl
InChIInChI=1S/C12H15NO2.ClH/c1-15-12(14)7-9-13-8-6-10-4-2-3-5-11(10)13;/h2-5H,6-9H2,1H3;1H
InChIKeyKSLOOBRWHWNROU-UHFFFAOYSA-N
XLogP2.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,3-dihydroindol-1-yl)propanoate;hydrochloride?
The IUPAC name of methyl 3-(2,3-dihydroindol-1-yl)propanoate;hydrochloride (CID 130248626) is methyl 3-(2,3-dihydroindol-1-yl)propanoate;hydrochloride.
What is the SMILES notation for methyl 3-(2,3-dihydroindol-1-yl)propanoate;hydrochloride?
The canonical SMILES for methyl 3-(2,3-dihydroindol-1-yl)propanoate;hydrochloride is COC(=O)CCN1CCc2ccccc21.Cl.
What is the InChIKey of methyl 3-(2,3-dihydroindol-1-yl)propanoate;hydrochloride?
The InChIKey is KSLOOBRWHWNROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2.ClH/c1-15-12(14)7-9-13-8-6-10-4-2-3-5-11(10)13;/h2-5H,6-9H2,1H3;1H.
What are the key properties of methyl 3-(2,3-dihydroindol-1-yl)propanoate;hydrochloride?
methyl 3-(2,3-dihydroindol-1-yl)propanoate;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,3-dihydroindol-1-yl)propanoate;hydrochloride is sourced from PubChem (CID 130248626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).