azane;1-(2-bromoethyl)pyrrolidin-2-one

C6H13BrN2O — CID 174693933

IUPACazane;1-(2-bromoethyl)pyrrolidin-2-one
SMILESN.O=C1CCCN1CCBr
InChIInChI=1S/C6H10BrNO.H3N/c7-3-5-8-4-1-2-6(8)9;/h1-5H2;1H3
InChIKeyPQBDKJDHBKEKBQ-UHFFFAOYSA-N
MW209.09 g/mol
LogP1.17
Rot. Bonds2

About azane;1-(2-bromoethyl)pyrrolidin-2-one

azane;1-(2-bromoethyl)pyrrolidin-2-one (PubChem CID 174693933) has the molecular formula C6H13BrN2O and a molecular weight of 209.09 g/mol. Its IUPAC name is azane;1-(2-bromoethyl)pyrrolidin-2-one.

Molecular Properties

Compound Nameazane;1-(2-bromoethyl)pyrrolidin-2-one
PubChem CID174693933
Molecular FormulaC6H13BrN2O
Molecular Weight209.09 g/mol
Exact Mass208.02
IUPAC Nameazane;1-(2-bromoethyl)pyrrolidin-2-one
SMILESN.O=C1CCCN1CCBr
InChIInChI=1S/C6H10BrNO.H3N/c7-3-5-8-4-1-2-6(8)9;/h1-5H2;1H3
InChIKeyPQBDKJDHBKEKBQ-UHFFFAOYSA-N
XLogP1.17
TPSA55.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.09
LogP ≤ 51.17
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-(2-oxopyrrolidin-1-yl)ethylazanium
CID 7446746
1-(2-silylethyl)pyrrolidin-2-one
CID 154480854
1-(6-bromohexyl)azepan-2-one
CID 71348361
arsane;1-(2-hydroxyethyl)pyrrolidin-2-one
CID 174911308
ethane;1-ethylpyrrolidin-2-one;methanethiol
CID 91355228
1-[2-[2-aminoethyl-[2-(2-oxopyrrolidin-1-yl)ethyl]amino]ethyl]pyrrolidin-2-one
CID 70355592
1-(2-bromoethyl)piperidine-2,6-dione
CID 10943981
N-amino-N-[2-(2-oxopyrrolidin-1-yl)ethyl]formamide
CID 88601198
2-(2-oxopyrrolidin-1-yl)ethanethioic S-acid
CID 57303794
1-(4,4-dimethylpentyl)pyrrolidin-2-one
CID 23542009
1-[2-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propylamino]ethyl]pyrrolidin-2-one
CID 19837416
1-(22-hydroxydocosyl)pyrrolidin-2-one
CID 151557638

Frequently Asked Questions

What is the IUPAC name of azane;1-(2-bromoethyl)pyrrolidin-2-one?
The IUPAC name of azane;1-(2-bromoethyl)pyrrolidin-2-one (CID 174693933) is azane;1-(2-bromoethyl)pyrrolidin-2-one.
What is the SMILES notation for azane;1-(2-bromoethyl)pyrrolidin-2-one?
The canonical SMILES for azane;1-(2-bromoethyl)pyrrolidin-2-one is N.O=C1CCCN1CCBr.
What is the InChIKey of azane;1-(2-bromoethyl)pyrrolidin-2-one?
The InChIKey is PQBDKJDHBKEKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrNO.H3N/c7-3-5-8-4-1-2-6(8)9;/h1-5H2;1H3.
What are the key properties of azane;1-(2-bromoethyl)pyrrolidin-2-one?
azane;1-(2-bromoethyl)pyrrolidin-2-one has a molecular weight of 209.09 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-(2-bromoethyl)pyrrolidin-2-one is sourced from PubChem (CID 174693933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).