(1R,6S)-7-azabicyclo[4.2.0]oct-3-en-8-one

C7H9NO — CID 6932382

IUPAC(1R,6S)-7-azabicyclo[4.2.0]oct-3-en-8-one
SMILESO=C1N[C@H]2CC=CC[C@@H]12
InChIInChI=1S/C7H9NO/c9-7-5-3-1-2-4-6(5)8-7/h1-2,5-6H,3-4H2,(H,8,9)/t5-,6+/m1/s1
InChIKeyIHROAFZNBVGGFN-RITPCOANSA-N
MW123.15 g/mol
LogP0.45
Rot. Bonds

About (1R,6S)-7-azabicyclo[4.2.0]oct-3-en-8-one

(1R,6S)-7-azabicyclo[4.2.0]oct-3-en-8-one (PubChem CID 6932382) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is (1R,6S)-7-azabicyclo[4.2.0]oct-3-en-8-one.

Molecular Properties

Compound Name(1R,6S)-7-azabicyclo[4.2.0]oct-3-en-8-one
PubChem CID6932382
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name(1R,6S)-7-azabicyclo[4.2.0]oct-3-en-8-one
SMILESO=C1N[C@H]2CC=CC[C@@H]12
InChIInChI=1S/C7H9NO/c9-7-5-3-1-2-4-6(5)8-7/h1-2,5-6H,3-4H2,(H,8,9)/t5-,6+/m1/s1
InChIKeyIHROAFZNBVGGFN-RITPCOANSA-N
XLogP0.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-Azabicyclo[4.2.0]oct-3-en-8-one
CID 300278
9-Azabicyclo[6.2.0]dec-4-en-10-one
CID 5382270
(+/-)-9-Azabicyclo[6.2.0]dec-4-en-10-one
CID 282169
(1R,6S)-7-azabicyclo[4.2.0]oct-4-en-8-one
CID 11622333
rac-(1R,6S)-7-azabicyclo[4.2.0]oct-4-en-8-one
CID 171921234
Rac-(1r,6s)-7-azabicyclo[4.2.0]oct-3-en-8-one
CID 6932379
7-Azabicyclo[4.2.0]oct-4-en-8-one
CID 10197678
(1S,6R)-7-azabicyclo[4.2.0]oct-4-en-8-one
CID 11571797
(1S,4Z,8R)-9-azabicyclo[6.2.0]dec-4-en-10-one
CID 89349661
(1R,4Z,8S)-9-azabicyclo[6.2.0]dec-4-en-10-one
CID 89349685
N-cyclohexyl-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 39969360
(1S)-N-cycloheptylcyclohex-3-ene-1-carboxamide
CID 51926176

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-7-azabicyclo[4.2.0]oct-3-en-8-one?
The IUPAC name of (1R,6S)-7-azabicyclo[4.2.0]oct-3-en-8-one (CID 6932382) is (1R,6S)-7-azabicyclo[4.2.0]oct-3-en-8-one.
What is the SMILES notation for (1R,6S)-7-azabicyclo[4.2.0]oct-3-en-8-one?
The canonical SMILES for (1R,6S)-7-azabicyclo[4.2.0]oct-3-en-8-one is O=C1N[C@H]2CC=CC[C@@H]12.
What is the InChIKey of (1R,6S)-7-azabicyclo[4.2.0]oct-3-en-8-one?
The InChIKey is IHROAFZNBVGGFN-RITPCOANSA-N. The full InChI is InChI=1S/C7H9NO/c9-7-5-3-1-2-4-6(5)8-7/h1-2,5-6H,3-4H2,(H,8,9)/t5-,6+/m1/s1.
What are the key properties of (1R,6S)-7-azabicyclo[4.2.0]oct-3-en-8-one?
(1R,6S)-7-azabicyclo[4.2.0]oct-3-en-8-one has a molecular weight of 123.15 g/mol, XLogP of 0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-7-azabicyclo[4.2.0]oct-3-en-8-one is sourced from PubChem (CID 6932382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).