5-(2H-azirin-2-yl)-3H-2-benzofuran-1-one

C10H7NO2 — CID 154533025

IUPAC5-(2H-azirin-2-yl)-3H-2-benzofuran-1-one
SMILESO=C1OCc2cc(C3C=N3)ccc21
InChIInChI=1S/C10H7NO2/c12-10-8-2-1-6(9-4-11-9)3-7(8)5-13-10/h1-4,9H,5H2
InChIKeyJLHKYRHRFCRBTL-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.48
Rot. Bonds1

About 5-(2H-azirin-2-yl)-3H-2-benzofuran-1-one

5-(2H-azirin-2-yl)-3H-2-benzofuran-1-one (PubChem CID 154533025) has the molecular formula C10H7NO2 and a molecular weight of 173.17 g/mol. Its IUPAC name is 5-(2H-azirin-2-yl)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-(2H-azirin-2-yl)-3H-2-benzofuran-1-one
PubChem CID154533025
Molecular FormulaC10H7NO2
Molecular Weight173.17 g/mol
Exact Mass173.05
IUPAC Name5-(2H-azirin-2-yl)-3H-2-benzofuran-1-one
SMILESO=C1OCc2cc(C3C=N3)ccc21
InChIInChI=1S/C10H7NO2/c12-10-8-2-1-6(9-4-11-9)3-7(8)5-13-10/h1-4,9H,5H2
InChIKeyJLHKYRHRFCRBTL-UHFFFAOYSA-N
XLogP1.48
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2H-azirin-2-yl)-3H-2-benzofuran-1-one?
The IUPAC name of 5-(2H-azirin-2-yl)-3H-2-benzofuran-1-one (CID 154533025) is 5-(2H-azirin-2-yl)-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-(2H-azirin-2-yl)-3H-2-benzofuran-1-one?
The canonical SMILES for 5-(2H-azirin-2-yl)-3H-2-benzofuran-1-one is O=C1OCc2cc(C3C=N3)ccc21.
What is the InChIKey of 5-(2H-azirin-2-yl)-3H-2-benzofuran-1-one?
The InChIKey is JLHKYRHRFCRBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2/c12-10-8-2-1-6(9-4-11-9)3-7(8)5-13-10/h1-4,9H,5H2.
What are the key properties of 5-(2H-azirin-2-yl)-3H-2-benzofuran-1-one?
5-(2H-azirin-2-yl)-3H-2-benzofuran-1-one has a molecular weight of 173.17 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2H-azirin-2-yl)-3H-2-benzofuran-1-one is sourced from PubChem (CID 154533025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).