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

C7H9NO2 — CID 67788412

IUPAC(6R)-3-hydroxy-1-azabicyclo[4.2.0]oct-2-en-8-one
SMILESO=C1C[C@H]2CCC(O)=CN12
InChIInChI=1S/C7H9NO2/c9-6-2-1-5-3-7(10)8(5)4-6/h4-5,9H,1-3H2/t5-/m1/s1
InChIKeyYWOFXUASIVNPIR-RXMQYKEDSA-N
MW139.15 g/mol
LogP0.78
Rot. Bonds

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

(6R)-3-hydroxy-1-azabicyclo[4.2.0]oct-2-en-8-one (PubChem CID 67788412) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is (6R)-3-hydroxy-1-azabicyclo[4.2.0]oct-2-en-8-one.

Molecular Properties

Compound Name(6R)-3-hydroxy-1-azabicyclo[4.2.0]oct-2-en-8-one
PubChem CID67788412
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name(6R)-3-hydroxy-1-azabicyclo[4.2.0]oct-2-en-8-one
SMILESO=C1C[C@H]2CCC(O)=CN12
InChIInChI=1S/C7H9NO2/c9-6-2-1-5-3-7(10)8(5)4-6/h4-5,9H,1-3H2/t5-/m1/s1
InChIKeyYWOFXUASIVNPIR-RXMQYKEDSA-N
XLogP0.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6R)-3-bromo-1-azabicyclo[4.2.0]oct-2-en-8-one
CID 70350554
(6R)-3-acetyl-1-azabicyclo[4.2.0]oct-2-en-8-one
CID 67887569
1-azabicyclo[3.2.0]hept-2-en-7-one
CID 161141811
CID 172790192
CID 172790192
4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)cyclohexan-1-one
CID 114762226
4-(1,2,4-triazol-4-yl)cyclohexan-1-one
CID 68879711
3-methyl-1-(4-oxocyclohexyl)pyrrolidine-2,5-dione
CID 79670321
1-cyclohexyl-2-oxo-3H-pyrrole-4-carboxylic acid
CID 83820597
2,4,6,8,9,9a-hexahydro-1H-quinolizine-3,7-dione
CID 164802579
tert-butyl 3-hydroxy-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CID 70621402
1-[4-hydroxy-5-[(4-hydroxycyclohex-3-en-1-yl)methyl]cyclohexen-1-yl]pyrrolidine-2,5-dione
CID 163511967
3-pyrrolidin-1-ylcyclopentan-1-one
CID 79643269

Frequently Asked Questions

What is the IUPAC name of (6R)-3-hydroxy-1-azabicyclo[4.2.0]oct-2-en-8-one?
The IUPAC name of (6R)-3-hydroxy-1-azabicyclo[4.2.0]oct-2-en-8-one (CID 67788412) is (6R)-3-hydroxy-1-azabicyclo[4.2.0]oct-2-en-8-one.
What is the SMILES notation for (6R)-3-hydroxy-1-azabicyclo[4.2.0]oct-2-en-8-one?
The canonical SMILES for (6R)-3-hydroxy-1-azabicyclo[4.2.0]oct-2-en-8-one is O=C1C[C@H]2CCC(O)=CN12.
What is the InChIKey of (6R)-3-hydroxy-1-azabicyclo[4.2.0]oct-2-en-8-one?
The InChIKey is YWOFXUASIVNPIR-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H9NO2/c9-6-2-1-5-3-7(10)8(5)4-6/h4-5,9H,1-3H2/t5-/m1/s1.
What are the key properties of (6R)-3-hydroxy-1-azabicyclo[4.2.0]oct-2-en-8-one?
(6R)-3-hydroxy-1-azabicyclo[4.2.0]oct-2-en-8-one has a molecular weight of 139.15 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-hydroxy-1-azabicyclo[4.2.0]oct-2-en-8-one is sourced from PubChem (CID 67788412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).