N-(4-nitrofuran-3-yl)nitramide

C4H3N3O5 — CID 19377257

IUPACN-(4-nitrofuran-3-yl)nitramide
SMILESO=[N+]([O-])Nc1cocc1[N+](=O)[O-]
InChIInChI=1S/C4H3N3O5/c8-6(9)4-2-12-1-3(4)5-7(10)11/h1-2,5H
InChIKeyPPSDYKZRPMHPFU-UHFFFAOYSA-N
MW173.08 g/mol
LogP0.79
Rot. Bonds3

About N-(4-nitrofuran-3-yl)nitramide

N-(4-nitrofuran-3-yl)nitramide (PubChem CID 19377257) has the molecular formula C4H3N3O5 and a molecular weight of 173.08 g/mol. Its IUPAC name is N-(4-nitrofuran-3-yl)nitramide.

Molecular Properties

Compound NameN-(4-nitrofuran-3-yl)nitramide
PubChem CID19377257
Molecular FormulaC4H3N3O5
Molecular Weight173.08 g/mol
Exact Mass173.01
IUPAC NameN-(4-nitrofuran-3-yl)nitramide
SMILESO=[N+]([O-])Nc1cocc1[N+](=O)[O-]
InChIInChI=1S/C4H3N3O5/c8-6(9)4-2-12-1-3(4)5-7(10)11/h1-2,5H
InChIKeyPPSDYKZRPMHPFU-UHFFFAOYSA-N
XLogP0.79
TPSA111.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.08
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 N-(4-nitrofuran-3-yl)nitramide?
The IUPAC name of N-(4-nitrofuran-3-yl)nitramide (CID 19377257) is N-(4-nitrofuran-3-yl)nitramide.
What is the SMILES notation for N-(4-nitrofuran-3-yl)nitramide?
The canonical SMILES for N-(4-nitrofuran-3-yl)nitramide is O=[N+]([O-])Nc1cocc1[N+](=O)[O-].
What is the InChIKey of N-(4-nitrofuran-3-yl)nitramide?
The InChIKey is PPSDYKZRPMHPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N3O5/c8-6(9)4-2-12-1-3(4)5-7(10)11/h1-2,5H.
What are the key properties of N-(4-nitrofuran-3-yl)nitramide?
N-(4-nitrofuran-3-yl)nitramide has a molecular weight of 173.08 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrofuran-3-yl)nitramide is sourced from PubChem (CID 19377257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).