2-(2-bromoprop-2-enoxymethyl)pyrrolidine

C8H14BrNO — CID 62335094

IUPAC2-(2-bromoprop-2-enoxymethyl)pyrrolidine
SMILESC=C(Br)COCC1CCCN1
InChIInChI=1S/C8H14BrNO/c1-7(9)5-11-6-8-3-2-4-10-8/h8,10H,1-6H2
InChIKeyOXJVCLBVFIUQHU-UHFFFAOYSA-N
MW220.11 g/mol
LogP1.66
Rot. Bonds4

About 2-(2-bromoprop-2-enoxymethyl)pyrrolidine

2-(2-bromoprop-2-enoxymethyl)pyrrolidine (PubChem CID 62335094) has the molecular formula C8H14BrNO and a molecular weight of 220.11 g/mol. Its IUPAC name is 2-(2-bromoprop-2-enoxymethyl)pyrrolidine.

Molecular Properties

Compound Name2-(2-bromoprop-2-enoxymethyl)pyrrolidine
PubChem CID62335094
Molecular FormulaC8H14BrNO
Molecular Weight220.11 g/mol
Exact Mass219.03
IUPAC Name2-(2-bromoprop-2-enoxymethyl)pyrrolidine
SMILESC=C(Br)COCC1CCCN1
InChIInChI=1S/C8H14BrNO/c1-7(9)5-11-6-8-3-2-4-10-8/h8,10H,1-6H2
InChIKeyOXJVCLBVFIUQHU-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.11
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoprop-2-enoxymethyl)pyrrolidine?
The IUPAC name of 2-(2-bromoprop-2-enoxymethyl)pyrrolidine (CID 62335094) is 2-(2-bromoprop-2-enoxymethyl)pyrrolidine.
What is the SMILES notation for 2-(2-bromoprop-2-enoxymethyl)pyrrolidine?
The canonical SMILES for 2-(2-bromoprop-2-enoxymethyl)pyrrolidine is C=C(Br)COCC1CCCN1.
What is the InChIKey of 2-(2-bromoprop-2-enoxymethyl)pyrrolidine?
The InChIKey is OXJVCLBVFIUQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrNO/c1-7(9)5-11-6-8-3-2-4-10-8/h8,10H,1-6H2.
What are the key properties of 2-(2-bromoprop-2-enoxymethyl)pyrrolidine?
2-(2-bromoprop-2-enoxymethyl)pyrrolidine has a molecular weight of 220.11 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoprop-2-enoxymethyl)pyrrolidine is sourced from PubChem (CID 62335094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).