1-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]pyridin-2-one

C17H18N2O2 — CID 135017500

IUPAC1-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]pyridin-2-one
SMILESO=C1C[C@H](Cn2ccccc2=O)CN1Cc1ccccc1
InChIInChI=1S/C17H18N2O2/c20-16-8-4-5-9-18(16)12-15-10-17(21)19(13-15)11-14-6-2-1-3-7-14/h1-9,15H,10-13H2/t15-/m1/s1
InChIKeyLNOSPUJBMDNDGN-OAHLLOKOSA-N
MW282.34 g/mol
LogP1.90
Rot. Bonds4

About 1-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]pyridin-2-one

1-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]pyridin-2-one (PubChem CID 135017500) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]pyridin-2-one
PubChem CID135017500
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]pyridin-2-one
SMILESO=C1C[C@H](Cn2ccccc2=O)CN1Cc1ccccc1
InChIInChI=1S/C17H18N2O2/c20-16-8-4-5-9-18(16)12-15-10-17(21)19(13-15)11-14-6-2-1-3-7-14/h1-9,15H,10-13H2/t15-/m1/s1
InChIKeyLNOSPUJBMDNDGN-OAHLLOKOSA-N
XLogP1.90
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-(bromomethyl)pyrrolidin-2-one
CID 46703995
1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione
CID 154884210
1-(cyclopentylmethyl)pyridin-2-one
CID 115582447
2-(1-benzyl-5-oxopyrrolidin-3-yl)-N-methylacetamide
CID 139763375
(1-benzyl-5-oxopyrrolidin-3-yl)methyl methanesulfonate
CID 71623233
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 16919346
4-(aminomethyl)-1-benzylpyrrolidin-2-one;2,3-dihydroxybutanedioic acid
CID 14129465
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide
CID 16919256
2-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-1,1,3,3-tetramethylguanidine
CID 99850668
1-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-4-phenylpyrazine-2,3-dione
CID 163347010
1,4-dibenzylpiperidin-2-one
CID 57246894
(4aS,8aS)-2-benzyl-1,4,4a,5,6,7,8,8a-octahydroisoquinolin-3-one
CID 10490446

Frequently Asked Questions

What is the IUPAC name of 1-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]pyridin-2-one?
The IUPAC name of 1-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]pyridin-2-one (CID 135017500) is 1-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]pyridin-2-one is O=C1C[C@H](Cn2ccccc2=O)CN1Cc1ccccc1.
What is the InChIKey of 1-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]pyridin-2-one?
The InChIKey is LNOSPUJBMDNDGN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-16-8-4-5-9-18(16)12-15-10-17(21)19(13-15)11-14-6-2-1-3-7-14/h1-9,15H,10-13H2/t15-/m1/s1.
What are the key properties of 1-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]pyridin-2-one?
1-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]pyridin-2-one has a molecular weight of 282.34 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]pyridin-2-one is sourced from PubChem (CID 135017500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).