guanidine;1-nitropyrrole

C5H9N5O2 — CID 70523594

IUPACguanidine;1-nitropyrrole
SMILESO=[N+]([O-])n1cccc1.[H]N=C(N)N
InChIInChI=1S/C4H4N2O2.CH5N3/c7-6(8)5-3-1-2-4-5;2-1(3)4/h1-4H;(H5,2,3,4)
InChIKeyOBFYBEWUUSJCLX-UHFFFAOYSA-N
MW171.16 g/mol
LogP-0.63
Rot. Bonds1

About guanidine;1-nitropyrrole

guanidine;1-nitropyrrole (PubChem CID 70523594) has the molecular formula C5H9N5O2 and a molecular weight of 171.16 g/mol. Its IUPAC name is guanidine;1-nitropyrrole.

Molecular Properties

Compound Nameguanidine;1-nitropyrrole
PubChem CID70523594
Molecular FormulaC5H9N5O2
Molecular Weight171.16 g/mol
Exact Mass171.08
IUPAC Nameguanidine;1-nitropyrrole
SMILESO=[N+]([O-])n1cccc1.[H]N=C(N)N
InChIInChI=1S/C4H4N2O2.CH5N3/c7-6(8)5-3-1-2-4-5;2-1(3)4/h1-4H;(H5,2,3,4)
InChIKeyOBFYBEWUUSJCLX-UHFFFAOYSA-N
XLogP-0.63
TPSA123.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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 guanidine;1-nitropyrrole?
The IUPAC name of guanidine;1-nitropyrrole (CID 70523594) is guanidine;1-nitropyrrole.
What is the SMILES notation for guanidine;1-nitropyrrole?
The canonical SMILES for guanidine;1-nitropyrrole is O=[N+]([O-])n1cccc1.[H]N=C(N)N.
What is the InChIKey of guanidine;1-nitropyrrole?
The InChIKey is OBFYBEWUUSJCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2.CH5N3/c7-6(8)5-3-1-2-4-5;2-1(3)4/h1-4H;(H5,2,3,4).
What are the key properties of guanidine;1-nitropyrrole?
guanidine;1-nitropyrrole has a molecular weight of 171.16 g/mol, XLogP of -0.63, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for guanidine;1-nitropyrrole is sourced from PubChem (CID 70523594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).