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

C9H11NO2 — CID 67887569

IUPAC(6R)-3-acetyl-1-azabicyclo[4.2.0]oct-2-en-8-one
SMILESCC(=O)C1=CN2C(=O)C[C@H]2CC1
InChIInChI=1S/C9H11NO2/c1-6(11)7-2-3-8-4-9(12)10(8)5-7/h5,8H,2-4H2,1H3/t8-/m1/s1
InChIKeyOIHKKUUPSCJIEU-MRVPVSSYSA-N
MW165.19 g/mol
LogP0.85
Rot. Bonds1

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

(6R)-3-acetyl-1-azabicyclo[4.2.0]oct-2-en-8-one (PubChem CID 67887569) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is (6R)-3-acetyl-1-azabicyclo[4.2.0]oct-2-en-8-one.

Molecular Properties

Compound Name(6R)-3-acetyl-1-azabicyclo[4.2.0]oct-2-en-8-one
PubChem CID67887569
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name(6R)-3-acetyl-1-azabicyclo[4.2.0]oct-2-en-8-one
SMILESCC(=O)C1=CN2C(=O)C[C@H]2CC1
InChIInChI=1S/C9H11NO2/c1-6(11)7-2-3-8-4-9(12)10(8)5-7/h5,8H,2-4H2,1H3/t8-/m1/s1
InChIKeyOIHKKUUPSCJIEU-MRVPVSSYSA-N
XLogP0.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6R)-3-hydroxy-1-azabicyclo[4.2.0]oct-2-en-8-one
CID 67788412
(6R)-3-bromo-1-azabicyclo[4.2.0]oct-2-en-8-one
CID 70350554
1-cyclohexyl-2-oxo-3H-pyrrole-4-carboxylic acid
CID 83820597
1-(5-methylcyclohepta-1,3-dien-1-yl)ethanone
CID 91374956
4-acetylcyclohex-3-ene-1-carbaldehyde
CID 13170150
6-acetylcyclohept-5-ene-1,4-dione
CID 11052011
1-(4-propan-2-ylcyclohexen-1-yl)ethanone
CID 153373666
(2R,6S)-4,8-dioxo-1,3-diazabicyclo[4.2.0]octane-2-carboxylic acid
CID 131080707
1-(3-methylcyclohexen-1-yl)ethanone
CID 12567210
1-azabicyclo[3.2.0]hept-2-en-7-one
CID 161141811
methyl (2S,5S)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 11240720
[(1R)-3-prop-1-en-2-ylcyclopent-2-en-1-yl] acetate
CID 56590409

Frequently Asked Questions

What is the IUPAC name of (6R)-3-acetyl-1-azabicyclo[4.2.0]oct-2-en-8-one?
The IUPAC name of (6R)-3-acetyl-1-azabicyclo[4.2.0]oct-2-en-8-one (CID 67887569) is (6R)-3-acetyl-1-azabicyclo[4.2.0]oct-2-en-8-one.
What is the SMILES notation for (6R)-3-acetyl-1-azabicyclo[4.2.0]oct-2-en-8-one?
The canonical SMILES for (6R)-3-acetyl-1-azabicyclo[4.2.0]oct-2-en-8-one is CC(=O)C1=CN2C(=O)C[C@H]2CC1.
What is the InChIKey of (6R)-3-acetyl-1-azabicyclo[4.2.0]oct-2-en-8-one?
The InChIKey is OIHKKUUPSCJIEU-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6(11)7-2-3-8-4-9(12)10(8)5-7/h5,8H,2-4H2,1H3/t8-/m1/s1.
What are the key properties of (6R)-3-acetyl-1-azabicyclo[4.2.0]oct-2-en-8-one?
(6R)-3-acetyl-1-azabicyclo[4.2.0]oct-2-en-8-one has a molecular weight of 165.19 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-acetyl-1-azabicyclo[4.2.0]oct-2-en-8-one is sourced from PubChem (CID 67887569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).