1-nitrosopyrrole

C4H4N2O — CID 19910797

IUPAC1-nitrosopyrrole
SMILESO=Nn1cccc1
InChIInChI=1S/C4H4N2O/c7-5-6-3-1-2-4-6/h1-4H
InChIKeyWJGWDELJCJGYGV-UHFFFAOYSA-N
MW96.09 g/mol
LogP1.02
Rot. Bonds1

About 1-nitrosopyrrole

1-nitrosopyrrole (PubChem CID 19910797) has the molecular formula C4H4N2O and a molecular weight of 96.09 g/mol. Its IUPAC name is 1-nitrosopyrrole.

Molecular Properties

Compound Name1-nitrosopyrrole
PubChem CID19910797
Molecular FormulaC4H4N2O
Molecular Weight96.09 g/mol
Exact Mass96.03
IUPAC Name1-nitrosopyrrole
SMILESO=Nn1cccc1
InChIInChI=1S/C4H4N2O/c7-5-6-3-1-2-4-6/h1-4H
InChIKeyWJGWDELJCJGYGV-UHFFFAOYSA-N
XLogP1.02
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.09
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-nitrosopyrrole?
The IUPAC name of 1-nitrosopyrrole (CID 19910797) is 1-nitrosopyrrole.
What is the SMILES notation for 1-nitrosopyrrole?
The canonical SMILES for 1-nitrosopyrrole is O=Nn1cccc1.
What is the InChIKey of 1-nitrosopyrrole?
The InChIKey is WJGWDELJCJGYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O/c7-5-6-3-1-2-4-6/h1-4H.
What are the key properties of 1-nitrosopyrrole?
1-nitrosopyrrole has a molecular weight of 96.09 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitrosopyrrole is sourced from PubChem (CID 19910797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).