2-nitroso-1H-pyrrol-3-olate

C4H3N2O2- — CID 154242802

IUPAC2-nitroso-1H-pyrrol-3-olate
SMILESO=Nc1[nH]ccc1[O-]
InChIInChI=1S/C4H4N2O2/c7-3-1-2-5-4(3)6-8/h1-2,5,7H/p-1
InChIKeyXDQGSZFMHSTXEW-UHFFFAOYSA-M
MW111.08 g/mol
LogP0.49
Rot. Bonds1

About 2-nitroso-1H-pyrrol-3-olate

2-nitroso-1H-pyrrol-3-olate (PubChem CID 154242802) has the molecular formula C4H3N2O2- and a molecular weight of 111.08 g/mol. Its IUPAC name is 2-nitroso-1H-pyrrol-3-olate.

Molecular Properties

Compound Name2-nitroso-1H-pyrrol-3-olate
PubChem CID154242802
Molecular FormulaC4H3N2O2-
Molecular Weight111.08 g/mol
Exact Mass111.02
IUPAC Name2-nitroso-1H-pyrrol-3-olate
SMILESO=Nc1[nH]ccc1[O-]
InChIInChI=1S/C4H4N2O2/c7-3-1-2-5-4(3)6-8/h1-2,5,7H/p-1
InChIKeyXDQGSZFMHSTXEW-UHFFFAOYSA-M
XLogP0.49
TPSA68.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.08
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-nitroso-1H-pyrrol-3-olate?
The IUPAC name of 2-nitroso-1H-pyrrol-3-olate (CID 154242802) is 2-nitroso-1H-pyrrol-3-olate.
What is the SMILES notation for 2-nitroso-1H-pyrrol-3-olate?
The canonical SMILES for 2-nitroso-1H-pyrrol-3-olate is O=Nc1[nH]ccc1[O-].
What is the InChIKey of 2-nitroso-1H-pyrrol-3-olate?
The InChIKey is XDQGSZFMHSTXEW-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H4N2O2/c7-3-1-2-5-4(3)6-8/h1-2,5,7H/p-1.
What are the key properties of 2-nitroso-1H-pyrrol-3-olate?
2-nitroso-1H-pyrrol-3-olate has a molecular weight of 111.08 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitroso-1H-pyrrol-3-olate is sourced from PubChem (CID 154242802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).