(5R)-5-benzylpyrrolidin-2-one

C11H13NO — CID 740530

IUPAC(5R)-5-benzylpyrrolidin-2-one
SMILESO=C1CC[C@H](Cc2ccccc2)N1
InChIInChI=1S/C11H13NO/c13-11-7-6-10(12-11)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)/t10-/m1/s1
InChIKeyUJTLWBQZNAXBAQ-SNVBAGLBSA-N
MW175.23 g/mol
LogP1.51
Rot. Bonds2

About (5R)-5-benzylpyrrolidin-2-one

(5R)-5-benzylpyrrolidin-2-one (PubChem CID 740530) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (5R)-5-benzylpyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-benzylpyrrolidin-2-one
PubChem CID740530
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(5R)-5-benzylpyrrolidin-2-one
SMILESO=C1CC[C@H](Cc2ccccc2)N1
InChIInChI=1S/C11H13NO/c13-11-7-6-10(12-11)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)/t10-/m1/s1
InChIKeyUJTLWBQZNAXBAQ-SNVBAGLBSA-N
XLogP1.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

formic acid;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;propane
CID 143719686
5-benzylpyrrolidine-2-thione
CID 89366574
(5S)-1-benzyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
CID 157283864
(5S)-5-[[benzyl(ethyl)amino]methyl]pyrrolidin-2-one
CID 123624620
(3R,7S,10R,14S)-7,14-dibenzyl-3,10-bis(sulfanylmethyl)-1,4,8,11-tetrazacyclotetradecane-2,5,9,12-tetrone
CID 167097692
2-benzyl-1,2,3,4-tetrahydroazepin-7-one
CID 18800636
N-[3-[(5-oxopyrrolidin-2-yl)methyl]phenyl]ethanesulfonamide
CID 11289056
(5R)-5-[[benzyl(2-hydroxyethyl)amino]methyl]pyrrolidin-2-one
CID 66865389
5-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-2-one
CID 104687017
5-(quinolin-2-ylmethyl)pyrrolidin-2-one
CID 113441322
5-[(4-bromo-3-methylphenyl)methyl]pyrrolidin-2-one
CID 104687060
(9R)-9-benzyl-1,4-diazonan-5-one
CID 142448424

Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzylpyrrolidin-2-one?
The IUPAC name of (5R)-5-benzylpyrrolidin-2-one (CID 740530) is (5R)-5-benzylpyrrolidin-2-one.
What is the SMILES notation for (5R)-5-benzylpyrrolidin-2-one?
The canonical SMILES for (5R)-5-benzylpyrrolidin-2-one is O=C1CC[C@H](Cc2ccccc2)N1.
What is the InChIKey of (5R)-5-benzylpyrrolidin-2-one?
The InChIKey is UJTLWBQZNAXBAQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13NO/c13-11-7-6-10(12-11)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)/t10-/m1/s1.
What are the key properties of (5R)-5-benzylpyrrolidin-2-one?
(5R)-5-benzylpyrrolidin-2-one has a molecular weight of 175.23 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-benzylpyrrolidin-2-one is sourced from PubChem (CID 740530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).