3-bromo-1-[2-(2-hydroxyethyl)pentyl]pyrrolidin-2-one

C11H20BrNO2 — CID 106118437

IUPAC3-bromo-1-[2-(2-hydroxyethyl)pentyl]pyrrolidin-2-one
SMILESCCCC(CCO)CN1CCC(Br)C1=O
InChIInChI=1S/C11H20BrNO2/c1-2-3-9(5-7-14)8-13-6-4-10(12)11(13)15/h9-10,14H,2-8H2,1H3
InChIKeyANSYTXPTKJOCEW-UHFFFAOYSA-N
MW278.19 g/mol
LogP1.78
Rot. Bonds6

About 3-bromo-1-[2-(2-hydroxyethyl)pentyl]pyrrolidin-2-one

3-bromo-1-[2-(2-hydroxyethyl)pentyl]pyrrolidin-2-one (PubChem CID 106118437) has the molecular formula C11H20BrNO2 and a molecular weight of 278.19 g/mol. Its IUPAC name is 3-bromo-1-[2-(2-hydroxyethyl)pentyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-bromo-1-[2-(2-hydroxyethyl)pentyl]pyrrolidin-2-one
PubChem CID106118437
Molecular FormulaC11H20BrNO2
Molecular Weight278.19 g/mol
Exact Mass277.07
IUPAC Name3-bromo-1-[2-(2-hydroxyethyl)pentyl]pyrrolidin-2-one
SMILESCCCC(CCO)CN1CCC(Br)C1=O
InChIInChI=1S/C11H20BrNO2/c1-2-3-9(5-7-14)8-13-6-4-10(12)11(13)15/h9-10,14H,2-8H2,1H3
InChIKeyANSYTXPTKJOCEW-UHFFFAOYSA-N
XLogP1.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Bromo-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 62478311
2-Bromo-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butan-1-one
CID 62856010
3-Bromo-1-[(2-hydroxycyclohexyl)methyl]pyrrolidin-2-one
CID 64912564
3-Bromo-1-[(2-hydroxycyclopentyl)methyl]pyrrolidin-2-one
CID 65838867
3-Bromo-1-[[2-(hydroxymethyl)cyclohexyl]methyl]pyrrolidin-2-one
CID 65903062
3-Bromo-1-[[2-(hydroxymethyl)cyclopentyl]methyl]pyrrolidin-2-one
CID 65903666
3-Bromo-1-(4-hydroxy-2-methylbutyl)pyrrolidin-2-one
CID 66108240
3-Bromo-1-(2-ethyl-4-hydroxybutyl)pyrrolidin-2-one
CID 80313093
2-bromo-N-[2-(2-hydroxyethyl)pentyl]-3-methylbutanamide
CID 106114958
2-bromo-N-[2-(2-hydroxyethyl)pentyl]butanamide
CID 106114980
1-[2-(2-Hydroxyethyl)pentyl]-3-methylpyrrolidine-2,5-dione
CID 106116924
1-[2-(2-Hydroxyethyl)pentyl]pyrrolidine-2,5-dione
CID 106116951

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[2-(2-hydroxyethyl)pentyl]pyrrolidin-2-one?
The IUPAC name of 3-bromo-1-[2-(2-hydroxyethyl)pentyl]pyrrolidin-2-one (CID 106118437) is 3-bromo-1-[2-(2-hydroxyethyl)pentyl]pyrrolidin-2-one.
What is the SMILES notation for 3-bromo-1-[2-(2-hydroxyethyl)pentyl]pyrrolidin-2-one?
The canonical SMILES for 3-bromo-1-[2-(2-hydroxyethyl)pentyl]pyrrolidin-2-one is CCCC(CCO)CN1CCC(Br)C1=O.
What is the InChIKey of 3-bromo-1-[2-(2-hydroxyethyl)pentyl]pyrrolidin-2-one?
The InChIKey is ANSYTXPTKJOCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO2/c1-2-3-9(5-7-14)8-13-6-4-10(12)11(13)15/h9-10,14H,2-8H2,1H3.
What are the key properties of 3-bromo-1-[2-(2-hydroxyethyl)pentyl]pyrrolidin-2-one?
3-bromo-1-[2-(2-hydroxyethyl)pentyl]pyrrolidin-2-one has a molecular weight of 278.19 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[2-(2-hydroxyethyl)pentyl]pyrrolidin-2-one is sourced from PubChem (CID 106118437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).