(2S)-1-benzyl-2-(1-hydroxycyclobutyl)-2H-pyrrol-5-one

C15H17NO2 — CID 125485916

IUPAC(2S)-1-benzyl-2-(1-hydroxycyclobutyl)-2H-pyrrol-5-one
SMILESO=C1C=C[C@@H](C2(O)CCC2)N1Cc1ccccc1
InChIInChI=1S/C15H17NO2/c17-14-8-7-13(15(18)9-4-10-15)16(14)11-12-5-2-1-3-6-12/h1-3,5-8,13,18H,4,9-11H2/t13-/m0/s1
InChIKeyLMMOOLZKEGPBGG-ZDUSSCGKSA-N
MW243.31 g/mol
LogP1.87
Rot. Bonds3

About (2S)-1-benzyl-2-(1-hydroxycyclobutyl)-2H-pyrrol-5-one

(2S)-1-benzyl-2-(1-hydroxycyclobutyl)-2H-pyrrol-5-one (PubChem CID 125485916) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (2S)-1-benzyl-2-(1-hydroxycyclobutyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-1-benzyl-2-(1-hydroxycyclobutyl)-2H-pyrrol-5-one
PubChem CID125485916
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(2S)-1-benzyl-2-(1-hydroxycyclobutyl)-2H-pyrrol-5-one
SMILESO=C1C=C[C@@H](C2(O)CCC2)N1Cc1ccccc1
InChIInChI=1S/C15H17NO2/c17-14-8-7-13(15(18)9-4-10-15)16(14)11-12-5-2-1-3-6-12/h1-3,5-8,13,18H,4,9-11H2/t13-/m0/s1
InChIKeyLMMOOLZKEGPBGG-ZDUSSCGKSA-N
XLogP1.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-benzyl-2-hydroxy-2H-pyrrol-5-one
CID 15504440
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CID 11106441
1-benzyl-4-(1-bromocyclopentyl)-3,3-dimethylazetidin-2-one
CID 11427655
2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one
CID 86091539
(3R,4S,6R)-1-benzyl-4-hydroxy-3,6-dimethylpiperidin-2-one
CID 156527480
(4aR,9aR)-1-benzyl-4a-hydroxy-4,9a-dihydro-3H-[1]benzofuro[2,3-b]pyridin-2-one
CID 102105421
(4R)-1-benzyl-4-(hydroxymethyl)azetidin-2-one
CID 10856298
(6R)-7-benzyl-6-methyl-4,7-diazaspiro[2.5]octane-5,8-dione
CID 58542438
1-benzyl-3,3-difluoro-5-hydroxypyrrolidin-2-one
CID 101435027
(1S,6R)-7-benzyl-7-azabicyclo[4.2.0]octan-8-one
CID 14190975
9-benzyl-8-tert-butyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887804
N,1-dibenzyl-4-(1-hydroxycyclopentyl)-2,5-dioxopyrrolidine-3-carboxamide
CID 658694

Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzyl-2-(1-hydroxycyclobutyl)-2H-pyrrol-5-one?
The IUPAC name of (2S)-1-benzyl-2-(1-hydroxycyclobutyl)-2H-pyrrol-5-one (CID 125485916) is (2S)-1-benzyl-2-(1-hydroxycyclobutyl)-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-1-benzyl-2-(1-hydroxycyclobutyl)-2H-pyrrol-5-one?
The canonical SMILES for (2S)-1-benzyl-2-(1-hydroxycyclobutyl)-2H-pyrrol-5-one is O=C1C=C[C@@H](C2(O)CCC2)N1Cc1ccccc1.
What is the InChIKey of (2S)-1-benzyl-2-(1-hydroxycyclobutyl)-2H-pyrrol-5-one?
The InChIKey is LMMOOLZKEGPBGG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17NO2/c17-14-8-7-13(15(18)9-4-10-15)16(14)11-12-5-2-1-3-6-12/h1-3,5-8,13,18H,4,9-11H2/t13-/m0/s1.
What are the key properties of (2S)-1-benzyl-2-(1-hydroxycyclobutyl)-2H-pyrrol-5-one?
(2S)-1-benzyl-2-(1-hydroxycyclobutyl)-2H-pyrrol-5-one has a molecular weight of 243.31 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzyl-2-(1-hydroxycyclobutyl)-2H-pyrrol-5-one is sourced from PubChem (CID 125485916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).