5-(2-bromoprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane

C8H12BrNO — CID 131160162

IUPAC5-(2-bromoprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane
SMILESC=C(Br)CN1CCOC2CC21
InChIInChI=1S/C8H12BrNO/c1-6(9)5-10-2-3-11-8-4-7(8)10/h7-8H,1-5H2
InChIKeyLAZZNWLQUXRIMQ-UHFFFAOYSA-N
MW218.09 g/mol
LogP1.37
Rot. Bonds2

About 5-(2-bromoprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane

5-(2-bromoprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane (PubChem CID 131160162) has the molecular formula C8H12BrNO and a molecular weight of 218.09 g/mol. Its IUPAC name is 5-(2-bromoprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name5-(2-bromoprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane
PubChem CID131160162
Molecular FormulaC8H12BrNO
Molecular Weight218.09 g/mol
Exact Mass217.01
IUPAC Name5-(2-bromoprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane
SMILESC=C(Br)CN1CCOC2CC21
InChIInChI=1S/C8H12BrNO/c1-6(9)5-10-2-3-11-8-4-7(8)10/h7-8H,1-5H2
InChIKeyLAZZNWLQUXRIMQ-UHFFFAOYSA-N
XLogP1.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.09
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane?
The IUPAC name of 5-(2-bromoprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane (CID 131160162) is 5-(2-bromoprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 5-(2-bromoprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane?
The canonical SMILES for 5-(2-bromoprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane is C=C(Br)CN1CCOC2CC21.
What is the InChIKey of 5-(2-bromoprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane?
The InChIKey is LAZZNWLQUXRIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNO/c1-6(9)5-10-2-3-11-8-4-7(8)10/h7-8H,1-5H2.
What are the key properties of 5-(2-bromoprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane?
5-(2-bromoprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane has a molecular weight of 218.09 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 131160162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).