N-benzyl-2-pyrrolidin-1-ylacetamide;hydrochloride

C13H19ClN2O — CID 2959243

IUPACN-benzyl-2-pyrrolidin-1-ylacetamide;hydrochloride
SMILESCl.O=C(CN1CCCC1)NCc1ccccc1
InChIInChI=1S/C13H18N2O.ClH/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);1H
InChIKeyDFGQRIBGQSWGPU-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.82
Rot. Bonds4

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

N-benzyl-2-pyrrolidin-1-ylacetamide;hydrochloride (PubChem CID 2959243) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-benzyl-2-pyrrolidin-1-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-2-pyrrolidin-1-ylacetamide;hydrochloride
PubChem CID2959243
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-benzyl-2-pyrrolidin-1-ylacetamide;hydrochloride
SMILESCl.O=C(CN1CCCC1)NCc1ccccc1
InChIInChI=1S/C13H18N2O.ClH/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);1H
InChIKeyDFGQRIBGQSWGPU-UHFFFAOYSA-N
XLogP1.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-benzyl-5-oxopyrrolidine-2-carboxamide
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4-Morpholineacetamide, N-(phenylmethyl)-
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N-benzyl-2-cyanoacetamide
CID 668298
N,N'-Dibenzyloxamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-pyrrolidin-1-ylacetamide;hydrochloride?
The IUPAC name of N-benzyl-2-pyrrolidin-1-ylacetamide;hydrochloride (CID 2959243) is N-benzyl-2-pyrrolidin-1-ylacetamide;hydrochloride.
What is the SMILES notation for N-benzyl-2-pyrrolidin-1-ylacetamide;hydrochloride?
The canonical SMILES for N-benzyl-2-pyrrolidin-1-ylacetamide;hydrochloride is Cl.O=C(CN1CCCC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-pyrrolidin-1-ylacetamide;hydrochloride?
The InChIKey is DFGQRIBGQSWGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.ClH/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);1H.
What are the key properties of N-benzyl-2-pyrrolidin-1-ylacetamide;hydrochloride?
N-benzyl-2-pyrrolidin-1-ylacetamide;hydrochloride has a molecular weight of 254.76 g/mol, XLogP of 1.82, 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;hydrochloride is sourced from PubChem (CID 2959243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).