4-(bromomethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one

C11H17BrN2O2 — CID 168504855

IUPAC4-(bromomethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one
SMILESO=C(CN1CC(CBr)CC1=O)N1CCCC1
InChIInChI=1S/C11H17BrN2O2/c12-6-9-5-10(15)14(7-9)8-11(16)13-3-1-2-4-13/h9H,1-8H2
InChIKeyIBLROFNVWUHUMH-UHFFFAOYSA-N
MW289.17 g/mol
LogP0.85
Rot. Bonds3

About 4-(bromomethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one

4-(bromomethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one (PubChem CID 168504855) has the molecular formula C11H17BrN2O2 and a molecular weight of 289.17 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one
PubChem CID168504855
Molecular FormulaC11H17BrN2O2
Molecular Weight289.17 g/mol
Exact Mass288.05
IUPAC Name4-(bromomethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one
SMILESO=C(CN1CC(CBr)CC1=O)N1CCCC1
InChIInChI=1S/C11H17BrN2O2/c12-6-9-5-10(15)14(7-9)8-11(16)13-3-1-2-4-13/h9H,1-8H2
InChIKeyIBLROFNVWUHUMH-UHFFFAOYSA-N
XLogP0.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]acetic acid
CID 168504859
4-ethynyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one
CID 168501534
methyl 5-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxylate
CID 168694070
5-amino-4-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one
CID 79355244
2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 168504856
1-[2-(azepan-1-yl)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid
CID 62230805
4-(bromomethyl)-1-(2,2-difluoroethyl)pyrrolidin-2-one
CID 168504854
4-(bromomethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one
CID 168504911
ethyl 4-[2-(4-benzyl-2-oxopyrrolidin-1-yl)acetyl]piperazine-1-carboxylate
CID 72901081
tert-butyl 2-[[4-(bromomethyl)-2-oxopyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate
CID 168503175
1-benzyl-4-(bromomethyl)pyrrolidin-2-one
CID 46703995
3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 128848247

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one?
The IUPAC name of 4-(bromomethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one (CID 168504855) is 4-(bromomethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(bromomethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(bromomethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one is O=C(CN1CC(CBr)CC1=O)N1CCCC1.
What is the InChIKey of 4-(bromomethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one?
The InChIKey is IBLROFNVWUHUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2/c12-6-9-5-10(15)14(7-9)8-11(16)13-3-1-2-4-13/h9H,1-8H2.
What are the key properties of 4-(bromomethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one?
4-(bromomethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one has a molecular weight of 289.17 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one is sourced from PubChem (CID 168504855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).