benzyl pyrrolidine-2-carboxylate;hydrochloride

C12H16ClNO2 — CID 3084256

IUPACbenzyl pyrrolidine-2-carboxylate;hydrochloride
SMILESCl.O=C(OCc1ccccc1)C1CCCN1
InChIInChI=1S/C12H15NO2.ClH/c14-12(11-7-4-8-13-11)15-9-10-5-2-1-3-6-10;/h1-3,5-6,11,13H,4,7-9H2;1H
InChIKeyNEDMOHHWRPHBAL-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.90
Rot. Bonds3

About benzyl pyrrolidine-2-carboxylate;hydrochloride

benzyl pyrrolidine-2-carboxylate;hydrochloride (PubChem CID 3084256) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is benzyl pyrrolidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namebenzyl pyrrolidine-2-carboxylate;hydrochloride
PubChem CID3084256
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Namebenzyl pyrrolidine-2-carboxylate;hydrochloride
SMILESCl.O=C(OCc1ccccc1)C1CCCN1
InChIInChI=1S/C12H15NO2.ClH/c14-12(11-7-4-8-13-11)15-9-10-5-2-1-3-6-10;/h1-3,5-6,11,13H,4,7-9H2;1H
InChIKeyNEDMOHHWRPHBAL-UHFFFAOYSA-N
XLogP1.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl pyrrolidine-2-carboxylate;hydrochloride?
The IUPAC name of benzyl pyrrolidine-2-carboxylate;hydrochloride (CID 3084256) is benzyl pyrrolidine-2-carboxylate;hydrochloride.
What is the SMILES notation for benzyl pyrrolidine-2-carboxylate;hydrochloride?
The canonical SMILES for benzyl pyrrolidine-2-carboxylate;hydrochloride is Cl.O=C(OCc1ccccc1)C1CCCN1.
What is the InChIKey of benzyl pyrrolidine-2-carboxylate;hydrochloride?
The InChIKey is NEDMOHHWRPHBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2.ClH/c14-12(11-7-4-8-13-11)15-9-10-5-2-1-3-6-10;/h1-3,5-6,11,13H,4,7-9H2;1H.
What are the key properties of benzyl pyrrolidine-2-carboxylate;hydrochloride?
benzyl pyrrolidine-2-carboxylate;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl pyrrolidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 3084256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).