(5S)-5-[[benzyl(ethyl)amino]methyl]pyrrolidin-2-one

C14H20N2O — CID 123624620

IUPAC(5S)-5-[[benzyl(ethyl)amino]methyl]pyrrolidin-2-one
SMILESCCN(Cc1ccccc1)C[C@@H]1CCC(=O)N1
InChIInChI=1S/C14H20N2O/c1-2-16(10-12-6-4-3-5-7-12)11-13-8-9-14(17)15-13/h3-7,13H,2,8-11H2,1H3,(H,15,17)/t13-/m0/s1
InChIKeyQQVSVNKHWCMJTK-ZDUSSCGKSA-N
MW232.33 g/mol
LogP1.79
Rot. Bonds5

About (5S)-5-[[benzyl(ethyl)amino]methyl]pyrrolidin-2-one

(5S)-5-[[benzyl(ethyl)amino]methyl]pyrrolidin-2-one (PubChem CID 123624620) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (5S)-5-[[benzyl(ethyl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[benzyl(ethyl)amino]methyl]pyrrolidin-2-one
PubChem CID123624620
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(5S)-5-[[benzyl(ethyl)amino]methyl]pyrrolidin-2-one
SMILESCCN(Cc1ccccc1)C[C@@H]1CCC(=O)N1
InChIInChI=1S/C14H20N2O/c1-2-16(10-12-6-4-3-5-7-12)11-13-8-9-14(17)15-13/h3-7,13H,2,8-11H2,1H3,(H,15,17)/t13-/m0/s1
InChIKeyQQVSVNKHWCMJTK-ZDUSSCGKSA-N
XLogP1.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-5-[[benzyl(2-hydroxyethyl)amino]methyl]pyrrolidin-2-one
CID 66865389
N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride
CID 56831759
2-[[benzyl(ethyl)amino]methyl]cyclohexan-1-one
CID 62614565
(5R)-5-benzylpyrrolidin-2-one
CID 740530
3-[[benzyl(ethyl)amino]methyl]oxan-4-one
CID 103057652
(5S)-5-[[[benzyl(methyl)sulfamoyl]-(pyridin-4-ylmethyl)amino]methyl]pyrrolidin-2-one
CID 131925449
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-benzylethanamine
CID 43126113
N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 86323590
(5S)-N-benzyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 26328936
3-[[benzyl(ethyl)amino]methyl]cyclopentan-1-amine
CID 66008001
(5S)-5-[[furan-3-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one
CID 50965952
N-benzyl-N-ethylethanamine;methanethiol
CID 142975470

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[benzyl(ethyl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[[benzyl(ethyl)amino]methyl]pyrrolidin-2-one (CID 123624620) is (5S)-5-[[benzyl(ethyl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[[benzyl(ethyl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[[benzyl(ethyl)amino]methyl]pyrrolidin-2-one is CCN(Cc1ccccc1)C[C@@H]1CCC(=O)N1.
What is the InChIKey of (5S)-5-[[benzyl(ethyl)amino]methyl]pyrrolidin-2-one?
The InChIKey is QQVSVNKHWCMJTK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-16(10-12-6-4-3-5-7-12)11-13-8-9-14(17)15-13/h3-7,13H,2,8-11H2,1H3,(H,15,17)/t13-/m0/s1.
What are the key properties of (5S)-5-[[benzyl(ethyl)amino]methyl]pyrrolidin-2-one?
(5S)-5-[[benzyl(ethyl)amino]methyl]pyrrolidin-2-one has a molecular weight of 232.33 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[benzyl(ethyl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 123624620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).