(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride

C12H17ClN2O — CID 141477985

IUPAC(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
SMILESCl.NC(=O)[C@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C12H16N2O.ClH/c13-12(15)11-7-4-8-14(11)9-10-5-2-1-3-6-10;/h1-3,5-6,11H,4,7-9H2,(H2,13,15);1H/t11-;/m1./s1
InChIKeyJYZJMDZRYNOYTH-RFVHGSKJSA-N
MW240.73 g/mol
LogP1.56
Rot. Bonds3

About (2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride

(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 141477985) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is (2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID141477985
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
SMILESCl.NC(=O)[C@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C12H16N2O.ClH/c13-12(15)11-7-4-8-14(11)9-10-5-2-1-3-6-10;/h1-3,5-6,11H,4,7-9H2,(H2,13,15);1H/t11-;/m1./s1
InChIKeyJYZJMDZRYNOYTH-RFVHGSKJSA-N
XLogP1.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-aminophenyl)methyl]pyrrolidine-2-carboxamide
CID 43212133
1-[(3-chlorophenyl)methyl]piperidine-2-carboxamide
CID 21105013
(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 23282646
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
1-(1-benzylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 70799307
1-[(3-amino-4-chlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 43349867
1,4-dibenzylpiperazine-2-carboxamide
CID 11392722
1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide
CID 142687635
(1-benzylpyrrolidin-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 60578972
(2S)-1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 70742179
1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 154828970
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride (CID 141477985) is (2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride is Cl.NC(=O)[C@H]1CCCN1Cc1ccccc1.
What is the InChIKey of (2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is JYZJMDZRYNOYTH-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H16N2O.ClH/c13-12(15)11-7-4-8-14(11)9-10-5-2-1-3-6-10;/h1-3,5-6,11H,4,7-9H2,(H2,13,15);1H/t11-;/m1./s1.
What are the key properties of (2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride?
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 240.73 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 141477985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).