1-[2-(2-bromophenyl)-2-hydroxyethyl]pyrrolidin-2-one

C12H14BrNO2 — CID 86071563

IUPAC1-[2-(2-bromophenyl)-2-hydroxyethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(O)c1ccccc1Br
InChIInChI=1S/C12H14BrNO2/c13-10-5-2-1-4-9(10)11(15)8-14-7-3-6-12(14)16/h1-2,4-5,11,15H,3,6-8H2
InChIKeyYVJUSMZPUUCEGJ-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.10
Rot. Bonds3

About 1-[2-(2-bromophenyl)-2-hydroxyethyl]pyrrolidin-2-one

1-[2-(2-bromophenyl)-2-hydroxyethyl]pyrrolidin-2-one (PubChem CID 86071563) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 1-[2-(2-bromophenyl)-2-hydroxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-bromophenyl)-2-hydroxyethyl]pyrrolidin-2-one
PubChem CID86071563
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name1-[2-(2-bromophenyl)-2-hydroxyethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(O)c1ccccc1Br
InChIInChI=1S/C12H14BrNO2/c13-10-5-2-1-4-9(10)11(15)8-14-7-3-6-12(14)16/h1-2,4-5,11,15H,3,6-8H2
InChIKeyYVJUSMZPUUCEGJ-UHFFFAOYSA-N
XLogP2.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenyl)-2-hydroxyethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(2-bromophenyl)-2-hydroxyethyl]pyrrolidin-2-one (CID 86071563) is 1-[2-(2-bromophenyl)-2-hydroxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2-bromophenyl)-2-hydroxyethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(2-bromophenyl)-2-hydroxyethyl]pyrrolidin-2-one is O=C1CCCN1CC(O)c1ccccc1Br.
What is the InChIKey of 1-[2-(2-bromophenyl)-2-hydroxyethyl]pyrrolidin-2-one?
The InChIKey is YVJUSMZPUUCEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c13-10-5-2-1-4-9(10)11(15)8-14-7-3-6-12(14)16/h1-2,4-5,11,15H,3,6-8H2.
What are the key properties of 1-[2-(2-bromophenyl)-2-hydroxyethyl]pyrrolidin-2-one?
1-[2-(2-bromophenyl)-2-hydroxyethyl]pyrrolidin-2-one has a molecular weight of 284.15 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenyl)-2-hydroxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 86071563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).