(NE)-N-[(5-nitrofuran-2-yl)methylidene]hydroxylamine

C5H4N2O4 — CID 6478035

IUPAC(NE)-N-[(5-nitrofuran-2-yl)methylidene]hydroxylamine
SMILESO=[N+]([O-])c1ccc(/C=N/O)o1
InChIInChI=1S/C5H4N2O4/c8-6-3-4-1-2-5(11-4)7(9)10/h1-3,8H/b6-3+
InChIKeyPTBKFATYSVLSSD-ZZXKWVIFSA-N
MW156.10 g/mol
LogP1.00
Rot. Bonds2

About (NE)-N-[(5-nitrofuran-2-yl)methylidene]hydroxylamine

(NE)-N-[(5-nitrofuran-2-yl)methylidene]hydroxylamine (PubChem CID 6478035) has the molecular formula C5H4N2O4 and a molecular weight of 156.10 g/mol. Its IUPAC name is (NE)-N-[(5-nitrofuran-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(5-nitrofuran-2-yl)methylidene]hydroxylamine
PubChem CID6478035
Molecular FormulaC5H4N2O4
Molecular Weight156.10 g/mol
Exact Mass156.02
IUPAC Name(NE)-N-[(5-nitrofuran-2-yl)methylidene]hydroxylamine
SMILESO=[N+]([O-])c1ccc(/C=N/O)o1
InChIInChI=1S/C5H4N2O4/c8-6-3-4-1-2-5(11-4)7(9)10/h1-3,8H/b6-3+
InChIKeyPTBKFATYSVLSSD-ZZXKWVIFSA-N
XLogP1.00
TPSA88.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.10
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Furazolidone
CID 5323714
Nitrofurazone
CID 5447130
Nifuroxime
CID 5373493
Nihydrazone
CID 9561033
3-(5-Nitro-2-furyl)acrylic acid
CID 702695
2-[(5-Nitro-2-furanyl)methylene]-hydrazinecarboxamide
CID 1839
Ethyl 3-(5-nitro-2-furyl)acrylate
CID 899314
2-Furaldehyde, 5-nitro-, thiosemicarbazone
CID 5452233
3-(5-Nitrofurfurylideneamino)-2-oxazolidinone
CID 3435
5-Nitrofuryl-2-acrolein
CID 5462962
2-Furancarboxaldehyde, 5-nitro-, ((5-nitro-2-furanyl)methylene)hydrazone
CID 6897752
Guanofuracin
CID 9570078

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(5-nitrofuran-2-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(5-nitrofuran-2-yl)methylidene]hydroxylamine (CID 6478035) is (NE)-N-[(5-nitrofuran-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(5-nitrofuran-2-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(5-nitrofuran-2-yl)methylidene]hydroxylamine is O=[N+]([O-])c1ccc(/C=N/O)o1.
What is the InChIKey of (NE)-N-[(5-nitrofuran-2-yl)methylidene]hydroxylamine?
The InChIKey is PTBKFATYSVLSSD-ZZXKWVIFSA-N. The full InChI is InChI=1S/C5H4N2O4/c8-6-3-4-1-2-5(11-4)7(9)10/h1-3,8H/b6-3+.
What are the key properties of (NE)-N-[(5-nitrofuran-2-yl)methylidene]hydroxylamine?
(NE)-N-[(5-nitrofuran-2-yl)methylidene]hydroxylamine has a molecular weight of 156.10 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(5-nitrofuran-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 6478035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).