1-benzyl-5-[(dimethylamino)methyl]pyrrolidin-2-one

C14H20N2O — CID 14129470

IUPAC1-benzyl-5-[(dimethylamino)methyl]pyrrolidin-2-one
SMILESCN(C)CC1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C14H20N2O/c1-15(2)11-13-8-9-14(17)16(13)10-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
InChIKeyFOSWNKPFGXVPJG-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.74
Rot. Bonds4

About 1-benzyl-5-[(dimethylamino)methyl]pyrrolidin-2-one

1-benzyl-5-[(dimethylamino)methyl]pyrrolidin-2-one (PubChem CID 14129470) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-benzyl-5-[(dimethylamino)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-[(dimethylamino)methyl]pyrrolidin-2-one
PubChem CID14129470
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-benzyl-5-[(dimethylamino)methyl]pyrrolidin-2-one
SMILESCN(C)CC1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C14H20N2O/c1-15(2)11-13-8-9-14(17)16(13)10-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
InChIKeyFOSWNKPFGXVPJG-UHFFFAOYSA-N
XLogP1.74
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 10442943
1-benzyl-5-(methylsulfonylmethyl)pyrrolidin-2-one
CID 102568331
1-benzyl-5-(ethylsulfonylmethyl)pyrrolidin-2-one
CID 102568332
1-benzyl-5-(2-hydroxyethyl)pyrrolidin-2-one
CID 115031392
5-(2-aminoethyl)-1-benzylpyrrolidin-2-one
CID 53415041
1-benzyl-5-heptylpyrrolidin-2-one
CID 71330928
1-benzyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
CID 59318444
CID 169193090
CID 169193090
1-benzyl-5-(3-trimethylsilylprop-2-ynyl)pyrrolidin-2-one
CID 15486534
(5S)-1-benzyl-5-tert-butylpyrrolidin-2-one
CID 141337970
[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]methyl 4-methylbenzenesulfonate
CID 10383848
diethyl 2-[[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]methyl]propanedioate
CID 14883639

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[(dimethylamino)methyl]pyrrolidin-2-one?
The IUPAC name of 1-benzyl-5-[(dimethylamino)methyl]pyrrolidin-2-one (CID 14129470) is 1-benzyl-5-[(dimethylamino)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-5-[(dimethylamino)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-5-[(dimethylamino)methyl]pyrrolidin-2-one is CN(C)CC1CCC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-[(dimethylamino)methyl]pyrrolidin-2-one?
The InChIKey is FOSWNKPFGXVPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-15(2)11-13-8-9-14(17)16(13)10-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3.
What are the key properties of 1-benzyl-5-[(dimethylamino)methyl]pyrrolidin-2-one?
1-benzyl-5-[(dimethylamino)methyl]pyrrolidin-2-one has a molecular weight of 232.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[(dimethylamino)methyl]pyrrolidin-2-one is sourced from PubChem (CID 14129470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).