(1-benzylpyrrolidin-2-yl)methyl acetate

C14H19NO2 — CID 57274096

IUPAC(1-benzylpyrrolidin-2-yl)methyl acetate
SMILESCC(=O)OCC1CCCN1Cc1ccccc1
InChIInChI=1S/C14H19NO2/c1-12(16)17-11-14-8-5-9-15(14)10-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3
InChIKeyAJGOVHKCTBXFKT-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.21
Rot. Bonds4

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

(1-benzylpyrrolidin-2-yl)methyl acetate (PubChem CID 57274096) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (1-benzylpyrrolidin-2-yl)methyl acetate.

Molecular Properties

Compound Name(1-benzylpyrrolidin-2-yl)methyl acetate
PubChem CID57274096
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(1-benzylpyrrolidin-2-yl)methyl acetate
SMILESCC(=O)OCC1CCCN1Cc1ccccc1
InChIInChI=1S/C14H19NO2/c1-12(16)17-11-14-8-5-9-15(14)10-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3
InChIKeyAJGOVHKCTBXFKT-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrrolidin-2-yl)methyl acetate?
The IUPAC name of (1-benzylpyrrolidin-2-yl)methyl acetate (CID 57274096) is (1-benzylpyrrolidin-2-yl)methyl acetate.
What is the SMILES notation for (1-benzylpyrrolidin-2-yl)methyl acetate?
The canonical SMILES for (1-benzylpyrrolidin-2-yl)methyl acetate is CC(=O)OCC1CCCN1Cc1ccccc1.
What is the InChIKey of (1-benzylpyrrolidin-2-yl)methyl acetate?
The InChIKey is AJGOVHKCTBXFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-12(16)17-11-14-8-5-9-15(14)10-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3.
What are the key properties of (1-benzylpyrrolidin-2-yl)methyl acetate?
(1-benzylpyrrolidin-2-yl)methyl acetate has a molecular weight of 233.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrrolidin-2-yl)methyl acetate is sourced from PubChem (CID 57274096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).