1-benzyl-5-(2-hydroxyethyl)pyrrolidin-2-one

C13H17NO2 — CID 115031392

IUPAC1-benzyl-5-(2-hydroxyethyl)pyrrolidin-2-one
SMILESO=C1CCC(CCO)N1Cc1ccccc1
InChIInChI=1S/C13H17NO2/c15-9-8-12-6-7-13(16)14(12)10-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2
InChIKeyOCOPVAZSZWDOBR-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.56
Rot. Bonds4

About 1-benzyl-5-(2-hydroxyethyl)pyrrolidin-2-one

1-benzyl-5-(2-hydroxyethyl)pyrrolidin-2-one (PubChem CID 115031392) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-benzyl-5-(2-hydroxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-(2-hydroxyethyl)pyrrolidin-2-one
PubChem CID115031392
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-benzyl-5-(2-hydroxyethyl)pyrrolidin-2-one
SMILESO=C1CCC(CCO)N1Cc1ccccc1
InChIInChI=1S/C13H17NO2/c15-9-8-12-6-7-13(16)14(12)10-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2
InChIKeyOCOPVAZSZWDOBR-UHFFFAOYSA-N
XLogP1.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 10442943
5-(2-aminoethyl)-1-benzylpyrrolidin-2-one
CID 53415041
1-benzyl-5-[2-(1,3-dioxan-2-yl)ethyl]pyrrolidin-2-one
CID 14762611
1-benzyl-5-heptylpyrrolidin-2-one
CID 71330928
1-benzyl-5-[(dimethylamino)methyl]pyrrolidin-2-one
CID 14129470
1-benzyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
CID 59318444
1-benzyl-5-(methylsulfonylmethyl)pyrrolidin-2-one
CID 102568331
1-benzyl-5-(ethylsulfonylmethyl)pyrrolidin-2-one
CID 102568332
(4R)-1-benzyl-4-(hydroxymethyl)azetidin-2-one
CID 10856298
(6R)-1-benzyl-6-prop-2-enylpiperidin-2-one
CID 102262811
diethyl 2-[[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]methyl]propanedioate
CID 14883639
CID 169193090
CID 169193090

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(2-hydroxyethyl)pyrrolidin-2-one?
The IUPAC name of 1-benzyl-5-(2-hydroxyethyl)pyrrolidin-2-one (CID 115031392) is 1-benzyl-5-(2-hydroxyethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-5-(2-hydroxyethyl)pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-5-(2-hydroxyethyl)pyrrolidin-2-one is O=C1CCC(CCO)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-(2-hydroxyethyl)pyrrolidin-2-one?
The InChIKey is OCOPVAZSZWDOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-9-8-12-6-7-13(16)14(12)10-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2.
What are the key properties of 1-benzyl-5-(2-hydroxyethyl)pyrrolidin-2-one?
1-benzyl-5-(2-hydroxyethyl)pyrrolidin-2-one has a molecular weight of 219.28 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(2-hydroxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 115031392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).