O-[(5-nitrofuran-2-yl)methyl]hydroxylamine

C5H6N2O4 — CID 79427799

IUPACO-[(5-nitrofuran-2-yl)methyl]hydroxylamine
SMILESNOCc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C5H6N2O4/c6-10-3-4-1-2-5(11-4)7(8)9/h1-2H,3,6H2
InChIKeyOOPCIOXZSMCIBM-UHFFFAOYSA-N
MW158.11 g/mol
LogP0.58
Rot. Bonds3

About O-[(5-nitrofuran-2-yl)methyl]hydroxylamine

O-[(5-nitrofuran-2-yl)methyl]hydroxylamine (PubChem CID 79427799) has the molecular formula C5H6N2O4 and a molecular weight of 158.11 g/mol. Its IUPAC name is O-[(5-nitrofuran-2-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(5-nitrofuran-2-yl)methyl]hydroxylamine
PubChem CID79427799
Molecular FormulaC5H6N2O4
Molecular Weight158.11 g/mol
Exact Mass158.03
IUPAC NameO-[(5-nitrofuran-2-yl)methyl]hydroxylamine
SMILESNOCc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C5H6N2O4/c6-10-3-4-1-2-5(11-4)7(8)9/h1-2H,3,6H2
InChIKeyOOPCIOXZSMCIBM-UHFFFAOYSA-N
XLogP0.58
TPSA91.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.11
LogP ≤ 50.58
H-Bond Donors ≤ 51
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'}

Analyze O-[(5-nitrofuran-2-yl)methyl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis[(5-nitrofuran-2-yl)methyl] carbonate
CID 175203098
(5-nitrofuran-2-yl)methanamine
CID 13211642
(5-nitrofuran-2-yl)methylhydrazine;dihydrochloride
CID 132585338
2-nitro-5-[[(5-nitrofuran-2-yl)methoxy-propan-2-ylphosphoryl]oxymethyl]furan
CID 129013384
N-methyl-1-(5-nitrofuran-2-yl)methanamine
CID 43754874
4-[(5-nitrofuran-2-yl)methoxy]benzonitrile
CID 43143176
N-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]propan-1-amine
CID 62338618
trimethyl-[(5-nitrofuran-2-yl)methyl]azanium;hydrobromide
CID 126957165
[4-[(5-nitrofuran-2-yl)methoxy]cyclohexyl]methanol
CID 106825517
bis(2-chloroethyl)amino-[(5-nitrofuran-2-yl)methoxy]-oxophosphanium
CID 89385661
2-[(5-bromo-2-methylphenoxy)methyl]-5-nitrofuran
CID 107284289
N,N-bis(2-bromoethyl)-[(5-nitrofuran-2-yl)methoxy]phosphonamidic acid
CID 54309944

Frequently Asked Questions

What is the IUPAC name of O-[(5-nitrofuran-2-yl)methyl]hydroxylamine?
The IUPAC name of O-[(5-nitrofuran-2-yl)methyl]hydroxylamine (CID 79427799) is O-[(5-nitrofuran-2-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(5-nitrofuran-2-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(5-nitrofuran-2-yl)methyl]hydroxylamine is NOCc1ccc([N+](=O)[O-])o1.
What is the InChIKey of O-[(5-nitrofuran-2-yl)methyl]hydroxylamine?
The InChIKey is OOPCIOXZSMCIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O4/c6-10-3-4-1-2-5(11-4)7(8)9/h1-2H,3,6H2.
What are the key properties of O-[(5-nitrofuran-2-yl)methyl]hydroxylamine?
O-[(5-nitrofuran-2-yl)methyl]hydroxylamine has a molecular weight of 158.11 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(5-nitrofuran-2-yl)methyl]hydroxylamine is sourced from PubChem (CID 79427799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).