1-(2-bromoethyl)-5-ethoxypyrrolidin-2-one

C8H14BrNO2 — CID 13048223

IUPAC1-(2-bromoethyl)-5-ethoxypyrrolidin-2-one
SMILESCCOC1CCC(=O)N1CCBr
InChIInChI=1S/C8H14BrNO2/c1-2-12-8-4-3-7(11)10(8)6-5-9/h8H,2-6H2,1H3
InChIKeyXGUROGKFMBCPOR-UHFFFAOYSA-N
MW236.11 g/mol
LogP1.37
Rot. Bonds4

About 1-(2-bromoethyl)-5-ethoxypyrrolidin-2-one

1-(2-bromoethyl)-5-ethoxypyrrolidin-2-one (PubChem CID 13048223) has the molecular formula C8H14BrNO2 and a molecular weight of 236.11 g/mol. Its IUPAC name is 1-(2-bromoethyl)-5-ethoxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-bromoethyl)-5-ethoxypyrrolidin-2-one
PubChem CID13048223
Molecular FormulaC8H14BrNO2
Molecular Weight236.11 g/mol
Exact Mass235.02
IUPAC Name1-(2-bromoethyl)-5-ethoxypyrrolidin-2-one
SMILESCCOC1CCC(=O)N1CCBr
InChIInChI=1S/C8H14BrNO2/c1-2-12-8-4-3-7(11)10(8)6-5-9/h8H,2-6H2,1H3
InChIKeyXGUROGKFMBCPOR-UHFFFAOYSA-N
XLogP1.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 51.37
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

(5S)-5-ethoxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrrolidin-2-one
CID 100928844
methyl (E)-6-(2-ethoxy-5-oxopyrrolidin-1-yl)hex-2-enoate
CID 68652665
(6S)-6-ethoxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidin-2-one
CID 100928847
1-(2-bromoethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one
CID 10449657
5-ethoxy-1-(2-phenyl-3-phenylmethoxypropyl)pyrrolidin-2-one
CID 10760541
(5R)-1-ethyl-5-methylpyrrolidin-2-one
CID 122427829
1-(3,4-dichlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one
CID 3086688
ethene;(5R)-5-methyl-1-propylpyrrolidin-2-one
CID 145214159
1-amino-5-methoxypyrrolidin-2-one
CID 123886673
ethyl 1-(3-bromoprop-2-ynyl)-5-oxopyrrolidine-2-carboxylate
CID 156787122
5-ethoxy-1-pyridin-2-ylsulfonylpyrrolidin-2-one
CID 3086699
(2E)-2-(5-ethoxy-1-methylpyrrolidin-2-ylidene)ethanol
CID 137468483

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-5-ethoxypyrrolidin-2-one?
The IUPAC name of 1-(2-bromoethyl)-5-ethoxypyrrolidin-2-one (CID 13048223) is 1-(2-bromoethyl)-5-ethoxypyrrolidin-2-one.
What is the SMILES notation for 1-(2-bromoethyl)-5-ethoxypyrrolidin-2-one?
The canonical SMILES for 1-(2-bromoethyl)-5-ethoxypyrrolidin-2-one is CCOC1CCC(=O)N1CCBr.
What is the InChIKey of 1-(2-bromoethyl)-5-ethoxypyrrolidin-2-one?
The InChIKey is XGUROGKFMBCPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrNO2/c1-2-12-8-4-3-7(11)10(8)6-5-9/h8H,2-6H2,1H3.
What are the key properties of 1-(2-bromoethyl)-5-ethoxypyrrolidin-2-one?
1-(2-bromoethyl)-5-ethoxypyrrolidin-2-one has a molecular weight of 236.11 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-5-ethoxypyrrolidin-2-one is sourced from PubChem (CID 13048223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).