ethyl 1-benzylpyrrolidine-3-carboxylate

C14H19NO2 — CID 11622765

IUPACethyl 1-benzylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C14H19NO2/c1-2-17-14(16)13-8-9-15(11-13)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChIKeyCYPXEPWPTXKUPL-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.07
Rot. Bonds4

About ethyl 1-benzylpyrrolidine-3-carboxylate

ethyl 1-benzylpyrrolidine-3-carboxylate (PubChem CID 11622765) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is ethyl 1-benzylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzylpyrrolidine-3-carboxylate
PubChem CID11622765
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nameethyl 1-benzylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C14H19NO2/c1-2-17-14(16)13-8-9-15(11-13)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChIKeyCYPXEPWPTXKUPL-UHFFFAOYSA-N
XLogP2.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzylpyrrolidine-3-carboxylate?
The IUPAC name of ethyl 1-benzylpyrrolidine-3-carboxylate (CID 11622765) is ethyl 1-benzylpyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 1-benzylpyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 1-benzylpyrrolidine-3-carboxylate is CCOC(=O)C1CCN(Cc2ccccc2)C1.
What is the InChIKey of ethyl 1-benzylpyrrolidine-3-carboxylate?
The InChIKey is CYPXEPWPTXKUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-17-14(16)13-8-9-15(11-13)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3.
What are the key properties of ethyl 1-benzylpyrrolidine-3-carboxylate?
ethyl 1-benzylpyrrolidine-3-carboxylate has a molecular weight of 233.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzylpyrrolidine-3-carboxylate is sourced from PubChem (CID 11622765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).