N-benzyl-2-pyrrolidin-1-ylacetamide

C13H18N2O — CID 2214094

IUPACN-benzyl-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)NCc1ccccc1
InChIInChI=1S/C13H18N2O/c16-13(11-15-8-4-5-9-15)14-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,14,16)
InChIKeyLMRGURFWGRDIIQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.40
Rot. Bonds4

About N-benzyl-2-pyrrolidin-1-ylacetamide

N-benzyl-2-pyrrolidin-1-ylacetamide (PubChem CID 2214094) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-benzyl-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-pyrrolidin-1-ylacetamide
PubChem CID2214094
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-benzyl-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)NCc1ccccc1
InChIInChI=1S/C13H18N2O/c16-13(11-15-8-4-5-9-15)14-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,14,16)
InChIKeyLMRGURFWGRDIIQ-UHFFFAOYSA-N
XLogP1.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-benzyl-2-pyrrolidin-1-ylacetamide (CID 2214094) is N-benzyl-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-benzyl-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-benzyl-2-pyrrolidin-1-ylacetamide is O=C(CN1CCCC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-pyrrolidin-1-ylacetamide?
The InChIKey is LMRGURFWGRDIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c16-13(11-15-8-4-5-9-15)14-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,14,16).
What are the key properties of N-benzyl-2-pyrrolidin-1-ylacetamide?
N-benzyl-2-pyrrolidin-1-ylacetamide has a molecular weight of 218.30 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 2214094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).