2-nitroso-1-benzofuran-3-ol

C8H5NO3 — CID 595970

IUPAC2-nitroso-1-benzofuran-3-ol
SMILESO=Nc1oc2ccccc2c1O
InChIInChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)12-8(7)9-11/h1-4,10H
InChIKeyPGFYEMBBHSJRNM-UHFFFAOYSA-N
MW163.13 g/mol
LogP2.54
Rot. Bonds1

About 2-nitroso-1-benzofuran-3-ol

2-nitroso-1-benzofuran-3-ol (PubChem CID 595970) has the molecular formula C8H5NO3 and a molecular weight of 163.13 g/mol. Its IUPAC name is 2-nitroso-1-benzofuran-3-ol.

Molecular Properties

Compound Name2-nitroso-1-benzofuran-3-ol
PubChem CID595970
Molecular FormulaC8H5NO3
Molecular Weight163.13 g/mol
Exact Mass163.03
IUPAC Name2-nitroso-1-benzofuran-3-ol
SMILESO=Nc1oc2ccccc2c1O
InChIInChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)12-8(7)9-11/h1-4,10H
InChIKeyPGFYEMBBHSJRNM-UHFFFAOYSA-N
XLogP2.54
TPSA62.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-nitroso-1-benzofuran-3-ol?
The IUPAC name of 2-nitroso-1-benzofuran-3-ol (CID 595970) is 2-nitroso-1-benzofuran-3-ol.
What is the SMILES notation for 2-nitroso-1-benzofuran-3-ol?
The canonical SMILES for 2-nitroso-1-benzofuran-3-ol is O=Nc1oc2ccccc2c1O.
What is the InChIKey of 2-nitroso-1-benzofuran-3-ol?
The InChIKey is PGFYEMBBHSJRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)12-8(7)9-11/h1-4,10H.
What are the key properties of 2-nitroso-1-benzofuran-3-ol?
2-nitroso-1-benzofuran-3-ol has a molecular weight of 163.13 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitroso-1-benzofuran-3-ol is sourced from PubChem (CID 595970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).