1-[2-(3-bromophenyl)-2-oxoethyl]pyrrolidin-2-one

C12H12BrNO2 — CID 62018803

IUPAC1-[2-(3-bromophenyl)-2-oxoethyl]pyrrolidin-2-one
SMILESO=C(CN1CCCC1=O)c1cccc(Br)c1
InChIInChI=1S/C12H12BrNO2/c13-10-4-1-3-9(7-10)11(15)8-14-6-2-5-12(14)16/h1,3-4,7H,2,5-6,8H2
InChIKeyLGEGPIZCYFHUQN-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.25
Rot. Bonds3

About 1-[2-(3-bromophenyl)-2-oxoethyl]pyrrolidin-2-one

1-[2-(3-bromophenyl)-2-oxoethyl]pyrrolidin-2-one (PubChem CID 62018803) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is 1-[2-(3-bromophenyl)-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(3-bromophenyl)-2-oxoethyl]pyrrolidin-2-one
PubChem CID62018803
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name1-[2-(3-bromophenyl)-2-oxoethyl]pyrrolidin-2-one
SMILESO=C(CN1CCCC1=O)c1cccc(Br)c1
InChIInChI=1S/C12H12BrNO2/c13-10-4-1-3-9(7-10)11(15)8-14-6-2-5-12(14)16/h1,3-4,7H,2,5-6,8H2
InChIKeyLGEGPIZCYFHUQN-UHFFFAOYSA-N
XLogP2.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenyl)-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(3-bromophenyl)-2-oxoethyl]pyrrolidin-2-one (CID 62018803) is 1-[2-(3-bromophenyl)-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(3-bromophenyl)-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(3-bromophenyl)-2-oxoethyl]pyrrolidin-2-one is O=C(CN1CCCC1=O)c1cccc(Br)c1.
What is the InChIKey of 1-[2-(3-bromophenyl)-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is LGEGPIZCYFHUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c13-10-4-1-3-9(7-10)11(15)8-14-6-2-5-12(14)16/h1,3-4,7H,2,5-6,8H2.
What are the key properties of 1-[2-(3-bromophenyl)-2-oxoethyl]pyrrolidin-2-one?
1-[2-(3-bromophenyl)-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 282.14 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenyl)-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 62018803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).