(3R)-3-bromo-1-(2-oxopyrrolidin-3-yl)pyrrolidin-2-one

C8H11BrN2O2 — CID 67415849

IUPAC(3R)-3-bromo-1-(2-oxopyrrolidin-3-yl)pyrrolidin-2-one
SMILESO=C1NCCC1N1CC[C@@H](Br)C1=O
InChIInChI=1S/C8H11BrN2O2/c9-5-2-4-11(8(5)13)6-1-3-10-7(6)12/h5-6H,1-4H2,(H,10,12)/t5-,6?/m1/s1
InChIKeyONMHPWNVWSUAPS-LWOQYNTDSA-N
MW247.09 g/mol
LogP-0.13
Rot. Bonds1

About (3R)-3-bromo-1-(2-oxopyrrolidin-3-yl)pyrrolidin-2-one

(3R)-3-bromo-1-(2-oxopyrrolidin-3-yl)pyrrolidin-2-one (PubChem CID 67415849) has the molecular formula C8H11BrN2O2 and a molecular weight of 247.09 g/mol. Its IUPAC name is (3R)-3-bromo-1-(2-oxopyrrolidin-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-bromo-1-(2-oxopyrrolidin-3-yl)pyrrolidin-2-one
PubChem CID67415849
Molecular FormulaC8H11BrN2O2
Molecular Weight247.09 g/mol
Exact Mass246.00
IUPAC Name(3R)-3-bromo-1-(2-oxopyrrolidin-3-yl)pyrrolidin-2-one
SMILESO=C1NCCC1N1CC[C@@H](Br)C1=O
InChIInChI=1S/C8H11BrN2O2/c9-5-2-4-11(8(5)13)6-1-3-10-7(6)12/h5-6H,1-4H2,(H,10,12)/t5-,6?/m1/s1
InChIKeyONMHPWNVWSUAPS-LWOQYNTDSA-N
XLogP-0.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-bromo-1-(2-oxopyrrolidin-3-yl)pyrrolidin-2-one?
The IUPAC name of (3R)-3-bromo-1-(2-oxopyrrolidin-3-yl)pyrrolidin-2-one (CID 67415849) is (3R)-3-bromo-1-(2-oxopyrrolidin-3-yl)pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-bromo-1-(2-oxopyrrolidin-3-yl)pyrrolidin-2-one?
The canonical SMILES for (3R)-3-bromo-1-(2-oxopyrrolidin-3-yl)pyrrolidin-2-one is O=C1NCCC1N1CC[C@@H](Br)C1=O.
What is the InChIKey of (3R)-3-bromo-1-(2-oxopyrrolidin-3-yl)pyrrolidin-2-one?
The InChIKey is ONMHPWNVWSUAPS-LWOQYNTDSA-N. The full InChI is InChI=1S/C8H11BrN2O2/c9-5-2-4-11(8(5)13)6-1-3-10-7(6)12/h5-6H,1-4H2,(H,10,12)/t5-,6?/m1/s1.
What are the key properties of (3R)-3-bromo-1-(2-oxopyrrolidin-3-yl)pyrrolidin-2-one?
(3R)-3-bromo-1-(2-oxopyrrolidin-3-yl)pyrrolidin-2-one has a molecular weight of 247.09 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-bromo-1-(2-oxopyrrolidin-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 67415849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).