3-benzyl-1-(2-phenylethyl)pyrrolidin-2-one

C19H21NO — CID 59741125

IUPAC3-benzyl-1-(2-phenylethyl)pyrrolidin-2-one
SMILESO=C1C(Cc2ccccc2)CCN1CCc1ccccc1
InChIInChI=1S/C19H21NO/c21-19-18(15-17-9-5-2-6-10-17)12-14-20(19)13-11-16-7-3-1-4-8-16/h1-10,18H,11-15H2
InChIKeyOXUUJOQFNGHGMX-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.32
Rot. Bonds5

About 3-benzyl-1-(2-phenylethyl)pyrrolidin-2-one

3-benzyl-1-(2-phenylethyl)pyrrolidin-2-one (PubChem CID 59741125) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-benzyl-1-(2-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-benzyl-1-(2-phenylethyl)pyrrolidin-2-one
PubChem CID59741125
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name3-benzyl-1-(2-phenylethyl)pyrrolidin-2-one
SMILESO=C1C(Cc2ccccc2)CCN1CCc1ccccc1
InChIInChI=1S/C19H21NO/c21-19-18(15-17-9-5-2-6-10-17)12-14-20(19)13-11-16-7-3-1-4-8-16/h1-10,18H,11-15H2
InChIKeyOXUUJOQFNGHGMX-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 59741259
(3R)-3-amino-1-(2-phenylethyl)pyrrolidin-2-one
CID 11096743
3-[(2-hydroxyphenyl)methyl]-1-(2-phenylethyl)piperidin-2-one
CID 122209783
1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 59741196
3-[(4-methylcyclohepta-1,2,4,6-tetraen-1-yl)methyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 143132409
[(3S)-3-benzyl-2-oxopyrrolidin-1-yl]methyl methanesulfonate
CID 57106984
3-[(2,6-dichlorophenyl)methyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one
CID 59741246
(3R)-3-amino-1-(3-phenylpropyl)pyrrolidin-2-one
CID 94237309
1-(2-phenylethyl)-3-(2,2,2-trifluoroacetyl)pyrrolidin-2-one
CID 68582866
3-benzyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-one
CID 18464420
(3S)-3-benzyl-1-cyclohexylpyrrolidin-2-one
CID 129365070
1-methyl-3-(2-phenylethyl)pyrrolidin-2-one
CID 24974613

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(2-phenylethyl)pyrrolidin-2-one?
The IUPAC name of 3-benzyl-1-(2-phenylethyl)pyrrolidin-2-one (CID 59741125) is 3-benzyl-1-(2-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-benzyl-1-(2-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for 3-benzyl-1-(2-phenylethyl)pyrrolidin-2-one is O=C1C(Cc2ccccc2)CCN1CCc1ccccc1.
What is the InChIKey of 3-benzyl-1-(2-phenylethyl)pyrrolidin-2-one?
The InChIKey is OXUUJOQFNGHGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c21-19-18(15-17-9-5-2-6-10-17)12-14-20(19)13-11-16-7-3-1-4-8-16/h1-10,18H,11-15H2.
What are the key properties of 3-benzyl-1-(2-phenylethyl)pyrrolidin-2-one?
3-benzyl-1-(2-phenylethyl)pyrrolidin-2-one has a molecular weight of 279.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(2-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 59741125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).