azane;2-nitro-1H-pyrrole

C4H7N3O2 — CID 172724090

IUPACazane;2-nitro-1H-pyrrole
SMILESN.O=[N+]([O-])c1ccc[nH]1
InChIInChI=1S/C4H4N2O2.H3N/c7-6(8)4-2-1-3-5-4;/h1-3,5H;1H3
InChIKeyMOPVIHTXVMVBRR-UHFFFAOYSA-N
MW129.12 g/mol
LogP1.08
Rot. Bonds1

About azane;2-nitro-1H-pyrrole

azane;2-nitro-1H-pyrrole (PubChem CID 172724090) has the molecular formula C4H7N3O2 and a molecular weight of 129.12 g/mol. Its IUPAC name is azane;2-nitro-1H-pyrrole.

Molecular Properties

Compound Nameazane;2-nitro-1H-pyrrole
PubChem CID172724090
Molecular FormulaC4H7N3O2
Molecular Weight129.12 g/mol
Exact Mass129.05
IUPAC Nameazane;2-nitro-1H-pyrrole
SMILESN.O=[N+]([O-])c1ccc[nH]1
InChIInChI=1S/C4H4N2O2.H3N/c7-6(8)4-2-1-3-5-4;/h1-3,5H;1H3
InChIKeyMOPVIHTXVMVBRR-UHFFFAOYSA-N
XLogP1.08
TPSA93.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;2-nitro-1H-pyrrole?
The IUPAC name of azane;2-nitro-1H-pyrrole (CID 172724090) is azane;2-nitro-1H-pyrrole.
What is the SMILES notation for azane;2-nitro-1H-pyrrole?
The canonical SMILES for azane;2-nitro-1H-pyrrole is N.O=[N+]([O-])c1ccc[nH]1.
What is the InChIKey of azane;2-nitro-1H-pyrrole?
The InChIKey is MOPVIHTXVMVBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2.H3N/c7-6(8)4-2-1-3-5-4;/h1-3,5H;1H3.
What are the key properties of azane;2-nitro-1H-pyrrole?
azane;2-nitro-1H-pyrrole has a molecular weight of 129.12 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-nitro-1H-pyrrole is sourced from PubChem (CID 172724090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).