(3-oxo-2-azabicyclo[2.2.0]hex-5-en-5-yl) acetate

C7H7NO3 — CID 13163113

IUPAC(3-oxo-2-azabicyclo[2.2.0]hex-5-en-5-yl) acetate
SMILESCC(=O)OC1=CC2NC(=O)C12
InChIInChI=1S/C7H7NO3/c1-3(9)11-5-2-4-6(5)7(10)8-4/h2,4,6H,1H3,(H,8,10)
InChIKeyHFMXLKYCQRKLJS-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.44
Rot. Bonds1

About (3-oxo-2-azabicyclo[2.2.0]hex-5-en-5-yl) acetate

(3-oxo-2-azabicyclo[2.2.0]hex-5-en-5-yl) acetate (PubChem CID 13163113) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is (3-oxo-2-azabicyclo[2.2.0]hex-5-en-5-yl) acetate.

Molecular Properties

Compound Name(3-oxo-2-azabicyclo[2.2.0]hex-5-en-5-yl) acetate
PubChem CID13163113
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name(3-oxo-2-azabicyclo[2.2.0]hex-5-en-5-yl) acetate
SMILESCC(=O)OC1=CC2NC(=O)C12
InChIInChI=1S/C7H7NO3/c1-3(9)11-5-2-4-6(5)7(10)8-4/h2,4,6H,1H3,(H,8,10)
InChIKeyHFMXLKYCQRKLJS-UHFFFAOYSA-N
XLogP-0.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-oxo-2-azabicyclo[2.2.0]hex-5-en-5-yl) acetate?
The IUPAC name of (3-oxo-2-azabicyclo[2.2.0]hex-5-en-5-yl) acetate (CID 13163113) is (3-oxo-2-azabicyclo[2.2.0]hex-5-en-5-yl) acetate.
What is the SMILES notation for (3-oxo-2-azabicyclo[2.2.0]hex-5-en-5-yl) acetate?
The canonical SMILES for (3-oxo-2-azabicyclo[2.2.0]hex-5-en-5-yl) acetate is CC(=O)OC1=CC2NC(=O)C12.
What is the InChIKey of (3-oxo-2-azabicyclo[2.2.0]hex-5-en-5-yl) acetate?
The InChIKey is HFMXLKYCQRKLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c1-3(9)11-5-2-4-6(5)7(10)8-4/h2,4,6H,1H3,(H,8,10).
What are the key properties of (3-oxo-2-azabicyclo[2.2.0]hex-5-en-5-yl) acetate?
(3-oxo-2-azabicyclo[2.2.0]hex-5-en-5-yl) acetate has a molecular weight of 153.14 g/mol, XLogP of -0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxo-2-azabicyclo[2.2.0]hex-5-en-5-yl) acetate is sourced from PubChem (CID 13163113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).