3-(2-bromoprop-2-enoxy)azetidine

C6H10BrNO — CID 63106273

IUPAC3-(2-bromoprop-2-enoxy)azetidine
SMILESC=C(Br)COC1CNC1
InChIInChI=1S/C6H10BrNO/c1-5(7)4-9-6-2-8-3-6/h6,8H,1-4H2
InChIKeyQBFSZFWIYVZJAZ-UHFFFAOYSA-N
MW192.06 g/mol
LogP0.88
Rot. Bonds3

About 3-(2-bromoprop-2-enoxy)azetidine

3-(2-bromoprop-2-enoxy)azetidine (PubChem CID 63106273) has the molecular formula C6H10BrNO and a molecular weight of 192.06 g/mol. Its IUPAC name is 3-(2-bromoprop-2-enoxy)azetidine.

Molecular Properties

Compound Name3-(2-bromoprop-2-enoxy)azetidine
PubChem CID63106273
Molecular FormulaC6H10BrNO
Molecular Weight192.06 g/mol
Exact Mass190.99
IUPAC Name3-(2-bromoprop-2-enoxy)azetidine
SMILESC=C(Br)COC1CNC1
InChIInChI=1S/C6H10BrNO/c1-5(7)4-9-6-2-8-3-6/h6,8H,1-4H2
InChIKeyQBFSZFWIYVZJAZ-UHFFFAOYSA-N
XLogP0.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.06
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoprop-2-enoxy)azetidine?
The IUPAC name of 3-(2-bromoprop-2-enoxy)azetidine (CID 63106273) is 3-(2-bromoprop-2-enoxy)azetidine.
What is the SMILES notation for 3-(2-bromoprop-2-enoxy)azetidine?
The canonical SMILES for 3-(2-bromoprop-2-enoxy)azetidine is C=C(Br)COC1CNC1.
What is the InChIKey of 3-(2-bromoprop-2-enoxy)azetidine?
The InChIKey is QBFSZFWIYVZJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrNO/c1-5(7)4-9-6-2-8-3-6/h6,8H,1-4H2.
What are the key properties of 3-(2-bromoprop-2-enoxy)azetidine?
3-(2-bromoprop-2-enoxy)azetidine has a molecular weight of 192.06 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoprop-2-enoxy)azetidine is sourced from PubChem (CID 63106273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).