1-[[3-(diethylaminomethyl)phenyl]methyl]pyrrolidin-2-one

C16H24N2O — CID 70502811

IUPAC1-[[3-(diethylaminomethyl)phenyl]methyl]pyrrolidin-2-one
SMILESCCN(CC)Cc1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C16H24N2O/c1-3-17(4-2)12-14-7-5-8-15(11-14)13-18-10-6-9-16(18)19/h5,7-8,11H,3-4,6,9-10,12-13H2,1-2H3
InChIKeyIFAGHNYNICKZPL-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.65
Rot. Bonds6

About 1-[[3-(diethylaminomethyl)phenyl]methyl]pyrrolidin-2-one

1-[[3-(diethylaminomethyl)phenyl]methyl]pyrrolidin-2-one (PubChem CID 70502811) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[[3-(diethylaminomethyl)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[3-(diethylaminomethyl)phenyl]methyl]pyrrolidin-2-one
PubChem CID70502811
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[[3-(diethylaminomethyl)phenyl]methyl]pyrrolidin-2-one
SMILESCCN(CC)Cc1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C16H24N2O/c1-3-17(4-2)12-14-7-5-8-15(11-14)13-18-10-6-9-16(18)19/h5,7-8,11H,3-4,6,9-10,12-13H2,1-2H3
InChIKeyIFAGHNYNICKZPL-UHFFFAOYSA-N
XLogP2.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-(bromomethyl)phenyl]methyl]pyrrolidin-2-one
CID 164596581
1-[(3-ethylphenyl)methyl]piperidin-2-one
CID 70929088
1-[(3-bromophenyl)methyl]pyrrolidin-2-one
CID 61414137
N-ethyl-3-[(2-oxopyrrolidin-1-yl)methyl]-N-pentan-3-ylbenzamide
CID 126804160
1-[3-[ethyl-[(3-fluorophenyl)methyl]amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116350
1,3-diethyl-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 110915316
N-[(4-bromophenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9159383
1-[(3-methylphenyl)methyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 38387385
2-methyl-1-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-propan-2-ylguanidine;hydroiodide
CID 111126304
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 55475125
1-[(3-fluorophenyl)methyl]-1,2-dimethyl-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine
CID 111285443
N-[2-oxo-2-(propylamino)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9163457

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(diethylaminomethyl)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[3-(diethylaminomethyl)phenyl]methyl]pyrrolidin-2-one (CID 70502811) is 1-[[3-(diethylaminomethyl)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[3-(diethylaminomethyl)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[3-(diethylaminomethyl)phenyl]methyl]pyrrolidin-2-one is CCN(CC)Cc1cccc(CN2CCCC2=O)c1.
What is the InChIKey of 1-[[3-(diethylaminomethyl)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is IFAGHNYNICKZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-17(4-2)12-14-7-5-8-15(11-14)13-18-10-6-9-16(18)19/h5,7-8,11H,3-4,6,9-10,12-13H2,1-2H3.
What are the key properties of 1-[[3-(diethylaminomethyl)phenyl]methyl]pyrrolidin-2-one?
1-[[3-(diethylaminomethyl)phenyl]methyl]pyrrolidin-2-one has a molecular weight of 260.38 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(diethylaminomethyl)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 70502811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).