(6R)-3-bromo-1-azabicyclo[4.2.0]oct-2-en-8-one

C7H8BrNO — CID 70350554

IUPAC(6R)-3-bromo-1-azabicyclo[4.2.0]oct-2-en-8-one
SMILESO=C1C[C@H]2CCC(Br)=CN12
InChIInChI=1S/C7H8BrNO/c8-5-1-2-6-3-7(10)9(6)4-5/h4,6H,1-3H2/t6-/m1/s1
InChIKeyRONMUEIEGVGVNT-ZCFIWIBFSA-N
MW202.05 g/mol
LogP1.62
Rot. Bonds

About (6R)-3-bromo-1-azabicyclo[4.2.0]oct-2-en-8-one

(6R)-3-bromo-1-azabicyclo[4.2.0]oct-2-en-8-one (PubChem CID 70350554) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is (6R)-3-bromo-1-azabicyclo[4.2.0]oct-2-en-8-one.

Molecular Properties

Compound Name(6R)-3-bromo-1-azabicyclo[4.2.0]oct-2-en-8-one
PubChem CID70350554
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name(6R)-3-bromo-1-azabicyclo[4.2.0]oct-2-en-8-one
SMILESO=C1C[C@H]2CCC(Br)=CN12
InChIInChI=1S/C7H8BrNO/c8-5-1-2-6-3-7(10)9(6)4-5/h4,6H,1-3H2/t6-/m1/s1
InChIKeyRONMUEIEGVGVNT-ZCFIWIBFSA-N
XLogP1.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6R)-3-bromo-1-azabicyclo[4.2.0]oct-2-en-8-one?
The IUPAC name of (6R)-3-bromo-1-azabicyclo[4.2.0]oct-2-en-8-one (CID 70350554) is (6R)-3-bromo-1-azabicyclo[4.2.0]oct-2-en-8-one.
What is the SMILES notation for (6R)-3-bromo-1-azabicyclo[4.2.0]oct-2-en-8-one?
The canonical SMILES for (6R)-3-bromo-1-azabicyclo[4.2.0]oct-2-en-8-one is O=C1C[C@H]2CCC(Br)=CN12.
What is the InChIKey of (6R)-3-bromo-1-azabicyclo[4.2.0]oct-2-en-8-one?
The InChIKey is RONMUEIEGVGVNT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H8BrNO/c8-5-1-2-6-3-7(10)9(6)4-5/h4,6H,1-3H2/t6-/m1/s1.
What are the key properties of (6R)-3-bromo-1-azabicyclo[4.2.0]oct-2-en-8-one?
(6R)-3-bromo-1-azabicyclo[4.2.0]oct-2-en-8-one has a molecular weight of 202.05 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-bromo-1-azabicyclo[4.2.0]oct-2-en-8-one is sourced from PubChem (CID 70350554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).