(2S)-2-benzyl-1-propylpyrrolidine-2-carboxamide;hydrochloride

C15H23ClN2O — CID 67817912

IUPAC(2S)-2-benzyl-1-propylpyrrolidine-2-carboxamide;hydrochloride
SMILESCCCN1CCC[C@]1(Cc1ccccc1)C(N)=O.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-2-10-17-11-6-9-15(17,14(16)18)12-13-7-4-3-5-8-13;/h3-5,7-8H,2,6,9-12H2,1H3,(H2,16,18);1H/t15-;/m0./s1
InChIKeyHAELUROGSYFDST-RSAXXLAASA-N
MW282.81 g/mol
LogP2.38
Rot. Bonds5

About (2S)-2-benzyl-1-propylpyrrolidine-2-carboxamide;hydrochloride

(2S)-2-benzyl-1-propylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 67817912) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is (2S)-2-benzyl-1-propylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-benzyl-1-propylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID67817912
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name(2S)-2-benzyl-1-propylpyrrolidine-2-carboxamide;hydrochloride
SMILESCCCN1CCC[C@]1(Cc1ccccc1)C(N)=O.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-2-10-17-11-6-9-15(17,14(16)18)12-13-7-4-3-5-8-13;/h3-5,7-8H,2,6,9-12H2,1H3,(H2,16,18);1H/t15-;/m0./s1
InChIKeyHAELUROGSYFDST-RSAXXLAASA-N
XLogP2.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-1-propylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-2-benzyl-1-propylpyrrolidine-2-carboxamide;hydrochloride (CID 67817912) is (2S)-2-benzyl-1-propylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-2-benzyl-1-propylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-2-benzyl-1-propylpyrrolidine-2-carboxamide;hydrochloride is CCCN1CCC[C@]1(Cc1ccccc1)C(N)=O.Cl.
What is the InChIKey of (2S)-2-benzyl-1-propylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is HAELUROGSYFDST-RSAXXLAASA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-2-10-17-11-6-9-15(17,14(16)18)12-13-7-4-3-5-8-13;/h3-5,7-8H,2,6,9-12H2,1H3,(H2,16,18);1H/t15-;/m0./s1.
What are the key properties of (2S)-2-benzyl-1-propylpyrrolidine-2-carboxamide;hydrochloride?
(2S)-2-benzyl-1-propylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-1-propylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 67817912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).