3-(2-bromoethyl)pyrrolidin-2-one

C6H10BrNO — CID 119056855

IUPAC3-(2-bromoethyl)pyrrolidin-2-one
SMILESO=C1NCCC1CCBr
InChIInChI=1S/C6H10BrNO/c7-3-1-5-2-4-8-6(5)9/h5H,1-4H2,(H,8,9)
InChIKeyXLLWOGBXABUREF-UHFFFAOYSA-N
MW192.06 g/mol
LogP0.91
Rot. Bonds2

About 3-(2-bromoethyl)pyrrolidin-2-one

3-(2-bromoethyl)pyrrolidin-2-one (PubChem CID 119056855) has the molecular formula C6H10BrNO and a molecular weight of 192.06 g/mol. Its IUPAC name is 3-(2-bromoethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(2-bromoethyl)pyrrolidin-2-one
PubChem CID119056855
Molecular FormulaC6H10BrNO
Molecular Weight192.06 g/mol
Exact Mass190.99
IUPAC Name3-(2-bromoethyl)pyrrolidin-2-one
SMILESO=C1NCCC1CCBr
InChIInChI=1S/C6H10BrNO/c7-3-1-5-2-4-8-6(5)9/h5H,1-4H2,(H,8,9)
InChIKeyXLLWOGBXABUREF-UHFFFAOYSA-N
XLogP0.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.06
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-(2-bromoethyl)pyrrolidin-2-one?
The IUPAC name of 3-(2-bromoethyl)pyrrolidin-2-one (CID 119056855) is 3-(2-bromoethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(2-bromoethyl)pyrrolidin-2-one?
The canonical SMILES for 3-(2-bromoethyl)pyrrolidin-2-one is O=C1NCCC1CCBr.
What is the InChIKey of 3-(2-bromoethyl)pyrrolidin-2-one?
The InChIKey is XLLWOGBXABUREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrNO/c7-3-1-5-2-4-8-6(5)9/h5H,1-4H2,(H,8,9).
What are the key properties of 3-(2-bromoethyl)pyrrolidin-2-one?
3-(2-bromoethyl)pyrrolidin-2-one has a molecular weight of 192.06 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoethyl)pyrrolidin-2-one is sourced from PubChem (CID 119056855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).