1-benzyl-5-butyl-5-hydroxypyrrolidin-2-one

C15H21NO2 — CID 71378859

IUPAC1-benzyl-5-butyl-5-hydroxypyrrolidin-2-one
SMILESCCCCC1(O)CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C15H21NO2/c1-2-3-10-15(18)11-9-14(17)16(15)12-13-7-5-4-6-8-13/h4-8,18H,2-3,9-12H2,1H3
InChIKeyXMQHJUHDINRKMC-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.69
Rot. Bonds5

About 1-benzyl-5-butyl-5-hydroxypyrrolidin-2-one

1-benzyl-5-butyl-5-hydroxypyrrolidin-2-one (PubChem CID 71378859) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-benzyl-5-butyl-5-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-butyl-5-hydroxypyrrolidin-2-one
PubChem CID71378859
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-benzyl-5-butyl-5-hydroxypyrrolidin-2-one
SMILESCCCCC1(O)CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C15H21NO2/c1-2-3-10-15(18)11-9-14(17)16(15)12-13-7-5-4-6-8-13/h4-8,18H,2-3,9-12H2,1H3
InChIKeyXMQHJUHDINRKMC-UHFFFAOYSA-N
XLogP2.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-butyl-5-hydroxypyrrolidin-2-one?
The IUPAC name of 1-benzyl-5-butyl-5-hydroxypyrrolidin-2-one (CID 71378859) is 1-benzyl-5-butyl-5-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-5-butyl-5-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-benzyl-5-butyl-5-hydroxypyrrolidin-2-one is CCCCC1(O)CCC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-butyl-5-hydroxypyrrolidin-2-one?
The InChIKey is XMQHJUHDINRKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-3-10-15(18)11-9-14(17)16(15)12-13-7-5-4-6-8-13/h4-8,18H,2-3,9-12H2,1H3.
What are the key properties of 1-benzyl-5-butyl-5-hydroxypyrrolidin-2-one?
1-benzyl-5-butyl-5-hydroxypyrrolidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-butyl-5-hydroxypyrrolidin-2-one is sourced from PubChem (CID 71378859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).