N-(4-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride

C13H19ClN2O — CID 2959052

IUPACN-(4-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
SMILESCc1ccc(NC(=O)CN2CCCC2)cc1.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-11-4-6-12(7-5-11)14-13(16)10-15-8-2-3-9-15;/h4-7H,2-3,8-10H2,1H3,(H,14,16);1H
InChIKeyAXYPVQMCYJKKSN-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.45
Rot. Bonds3

About N-(4-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride

N-(4-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride (PubChem CID 2959052) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
PubChem CID2959052
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-(4-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
SMILESCc1ccc(NC(=O)CN2CCCC2)cc1.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-11-4-6-12(7-5-11)14-13(16)10-15-8-2-3-9-15;/h4-7H,2-3,8-10H2,1H3,(H,14,16);1H
InChIKeyAXYPVQMCYJKKSN-UHFFFAOYSA-N
XLogP2.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
The IUPAC name of N-(4-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride (CID 2959052) is N-(4-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride.
What is the SMILES notation for N-(4-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
The canonical SMILES for N-(4-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride is Cc1ccc(NC(=O)CN2CCCC2)cc1.Cl.
What is the InChIKey of N-(4-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
The InChIKey is AXYPVQMCYJKKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.ClH/c1-11-4-6-12(7-5-11)14-13(16)10-15-8-2-3-9-15;/h4-7H,2-3,8-10H2,1H3,(H,14,16);1H.
What are the key properties of N-(4-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
N-(4-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride has a molecular weight of 254.76 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride is sourced from PubChem (CID 2959052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).