2-nitro-5-(nitrosomethyl)furan

C5H4N2O4 — CID 16760200

IUPAC2-nitro-5-(nitrosomethyl)furan
SMILESO=NCc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C5H4N2O4/c8-6-3-4-1-2-5(11-4)7(9)10/h1-2H,3H2
InChIKeyYPLKHPGELUGWCJ-UHFFFAOYSA-N
MW156.10 g/mol
LogP1.45
Rot. Bonds3

About 2-nitro-5-(nitrosomethyl)furan

2-nitro-5-(nitrosomethyl)furan (PubChem CID 16760200) has the molecular formula C5H4N2O4 and a molecular weight of 156.10 g/mol. Its IUPAC name is 2-nitro-5-(nitrosomethyl)furan.

Molecular Properties

Compound Name2-nitro-5-(nitrosomethyl)furan
PubChem CID16760200
Molecular FormulaC5H4N2O4
Molecular Weight156.10 g/mol
Exact Mass156.02
IUPAC Name2-nitro-5-(nitrosomethyl)furan
SMILESO=NCc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C5H4N2O4/c8-6-3-4-1-2-5(11-4)7(9)10/h1-2H,3H2
InChIKeyYPLKHPGELUGWCJ-UHFFFAOYSA-N
XLogP1.45
TPSA85.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.10
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-nitro-5-(nitrosomethyl)furan?
The IUPAC name of 2-nitro-5-(nitrosomethyl)furan (CID 16760200) is 2-nitro-5-(nitrosomethyl)furan.
What is the SMILES notation for 2-nitro-5-(nitrosomethyl)furan?
The canonical SMILES for 2-nitro-5-(nitrosomethyl)furan is O=NCc1ccc([N+](=O)[O-])o1.
What is the InChIKey of 2-nitro-5-(nitrosomethyl)furan?
The InChIKey is YPLKHPGELUGWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O4/c8-6-3-4-1-2-5(11-4)7(9)10/h1-2H,3H2.
What are the key properties of 2-nitro-5-(nitrosomethyl)furan?
2-nitro-5-(nitrosomethyl)furan has a molecular weight of 156.10 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-5-(nitrosomethyl)furan is sourced from PubChem (CID 16760200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).