1-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidin-2-one

C14H20N2O2 — CID 168702100

IUPAC1-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidin-2-one
SMILESCN(C)Cc1cccc(CN2CC(O)CC2=O)c1
InChIInChI=1S/C14H20N2O2/c1-15(2)8-11-4-3-5-12(6-11)9-16-10-13(17)7-14(16)18/h3-6,13,17H,7-10H2,1-2H3
InChIKeyQADBYWVFOQLJQY-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.84
Rot. Bonds4

About 1-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidin-2-one

1-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidin-2-one (PubChem CID 168702100) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidin-2-one
PubChem CID168702100
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidin-2-one
SMILESCN(C)Cc1cccc(CN2CC(O)CC2=O)c1
InChIInChI=1S/C14H20N2O2/c1-15(2)8-11-4-3-5-12(6-11)9-16-10-13(17)7-14(16)18/h3-6,13,17H,7-10H2,1-2H3
InChIKeyQADBYWVFOQLJQY-UHFFFAOYSA-N
XLogP0.84
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-[(dimethylamino)methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 168696325
1-[(4-tert-butylphenyl)methyl]-4-hydroxypyrrolidin-2-one
CID 168701837
1-[[3-(hydroxymethyl)phenyl]methyl]-4-sulfanylpyrrolidin-2-one
CID 168709549
(4R)-4-amino-1-[(3-hydroxyphenyl)methyl]pyrrolidin-2-one
CID 59905935
4-(bromomethyl)-1-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-one
CID 168505147
2-(dimethylamino)-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
CID 45217130
(3S)-1-benzyl-N-[(3-fluorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 34904790
1-[(2,5-dimethylphenyl)methyl]-4-hydroxypyrrolidin-2-one
CID 168702646
1-[[3-(hydroxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 168697437
1-[[cyclopropyl(methyl)amino]methyl]-4-hydroxypyrrolidin-2-one
CID 126986122
6-hydroxy-4-[(3-methylphenyl)methyl]-3-oxo-1,4-diazepane-1-carboxylic acid
CID 122540010
(6S)-1-benzyl-6-hydroxyazepan-2-one
CID 142998069

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidin-2-one (CID 168702100) is 1-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidin-2-one is CN(C)Cc1cccc(CN2CC(O)CC2=O)c1.
What is the InChIKey of 1-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidin-2-one?
The InChIKey is QADBYWVFOQLJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15(2)8-11-4-3-5-12(6-11)9-16-10-13(17)7-14(16)18/h3-6,13,17H,7-10H2,1-2H3.
What are the key properties of 1-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidin-2-one?
1-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168702100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).