ethyl 2-(1-benzylpyrrolidin-2-yl)acetate

C15H21NO2 — CID 11010289

IUPACethyl 2-(1-benzylpyrrolidin-2-yl)acetate
SMILESCCOC(=O)CC1CCCN1Cc1ccccc1
InChIInChI=1S/C15H21NO2/c1-2-18-15(17)11-14-9-6-10-16(14)12-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3
InChIKeyDJVUPVOYKBTAIH-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.60
Rot. Bonds5

About ethyl 2-(1-benzylpyrrolidin-2-yl)acetate

ethyl 2-(1-benzylpyrrolidin-2-yl)acetate (PubChem CID 11010289) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is ethyl 2-(1-benzylpyrrolidin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-benzylpyrrolidin-2-yl)acetate
PubChem CID11010289
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nameethyl 2-(1-benzylpyrrolidin-2-yl)acetate
SMILESCCOC(=O)CC1CCCN1Cc1ccccc1
InChIInChI=1S/C15H21NO2/c1-2-18-15(17)11-14-9-6-10-16(14)12-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3
InChIKeyDJVUPVOYKBTAIH-UHFFFAOYSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-benzylpyrrolidin-2-yl)acetate?
The IUPAC name of ethyl 2-(1-benzylpyrrolidin-2-yl)acetate (CID 11010289) is ethyl 2-(1-benzylpyrrolidin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(1-benzylpyrrolidin-2-yl)acetate?
The canonical SMILES for ethyl 2-(1-benzylpyrrolidin-2-yl)acetate is CCOC(=O)CC1CCCN1Cc1ccccc1.
What is the InChIKey of ethyl 2-(1-benzylpyrrolidin-2-yl)acetate?
The InChIKey is DJVUPVOYKBTAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-18-15(17)11-14-9-6-10-16(14)12-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3.
What are the key properties of ethyl 2-(1-benzylpyrrolidin-2-yl)acetate?
ethyl 2-(1-benzylpyrrolidin-2-yl)acetate has a molecular weight of 247.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-benzylpyrrolidin-2-yl)acetate is sourced from PubChem (CID 11010289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).