2-nitroso-1H-pyrrole

C4H4N2O — CID 23371254

IUPAC2-nitroso-1H-pyrrole
SMILESO=Nc1ccc[nH]1
InChIInChI=1S/C4H4N2O/c7-6-4-2-1-3-5-4/h1-3,5H
InChIKeyQDHZMNOYFINVEC-UHFFFAOYSA-N
MW96.09 g/mol
LogP1.41
Rot. Bonds1

About 2-nitroso-1H-pyrrole

2-nitroso-1H-pyrrole (PubChem CID 23371254) has the molecular formula C4H4N2O and a molecular weight of 96.09 g/mol. Its IUPAC name is 2-nitroso-1H-pyrrole.

Molecular Properties

Compound Name2-nitroso-1H-pyrrole
PubChem CID23371254
Molecular FormulaC4H4N2O
Molecular Weight96.09 g/mol
Exact Mass96.03
IUPAC Name2-nitroso-1H-pyrrole
SMILESO=Nc1ccc[nH]1
InChIInChI=1S/C4H4N2O/c7-6-4-2-1-3-5-4/h1-3,5H
InChIKeyQDHZMNOYFINVEC-UHFFFAOYSA-N
XLogP1.41
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.09
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-nitroso-1H-pyrrole?
The IUPAC name of 2-nitroso-1H-pyrrole (CID 23371254) is 2-nitroso-1H-pyrrole.
What is the SMILES notation for 2-nitroso-1H-pyrrole?
The canonical SMILES for 2-nitroso-1H-pyrrole is O=Nc1ccc[nH]1.
What is the InChIKey of 2-nitroso-1H-pyrrole?
The InChIKey is QDHZMNOYFINVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O/c7-6-4-2-1-3-5-4/h1-3,5H.
What are the key properties of 2-nitroso-1H-pyrrole?
2-nitroso-1H-pyrrole has a molecular weight of 96.09 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitroso-1H-pyrrole is sourced from PubChem (CID 23371254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).