5-nitrofuran-2-carbohydrazide

C5H5N3O4 — CID 3713598

IUPAC5-nitrofuran-2-carbohydrazide
SMILESNNC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C5H5N3O4/c6-7-5(9)3-1-2-4(12-3)8(10)11/h1-2H,6H2,(H,7,9)
InChIKeyHRYYAHKXNSUDFH-UHFFFAOYSA-N
MW171.11 g/mol
LogP-0.21
Rot. Bonds2

About 5-nitrofuran-2-carbohydrazide

5-nitrofuran-2-carbohydrazide (PubChem CID 3713598) has the molecular formula C5H5N3O4 and a molecular weight of 171.11 g/mol. Its IUPAC name is 5-nitrofuran-2-carbohydrazide.

Molecular Properties

Compound Name5-nitrofuran-2-carbohydrazide
PubChem CID3713598
Molecular FormulaC5H5N3O4
Molecular Weight171.11 g/mol
Exact Mass171.03
IUPAC Name5-nitrofuran-2-carbohydrazide
SMILESNNC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C5H5N3O4/c6-7-5(9)3-1-2-4(12-3)8(10)11/h1-2H,6H2,(H,7,9)
InChIKeyHRYYAHKXNSUDFH-UHFFFAOYSA-N
XLogP-0.21
TPSA111.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.11
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Nitrofurfural
CID 12774
2-Acetyl-5-nitrofuran
CID 21348
N'-(4-nitrophenyl)furan-2-carbohydrazide
CID 3490247
2-Nitro-5-(nitrosomethyl)furan
CID 16760200
N'-benzoyl-5-nitro-2-furohydrazide
CID 3794983
5-nitro-N'-(2-phenylacetyl)furan-2-carbohydrazide
CID 9971392
N''-(5-Nitro-furan-2-carbonyl)-hydrazinecarboxylic acid tert-butyl ester
CID 11673450
5-nitro-N-[(E)-(5-nitro-2-furyl)methyleneamino]furan-2-carboxamide
CID 46911332
3-(5-Nitro-2-furyl)acrylamide
CID 6433211
2-Furancarboxamide, N-(aminocarbonyl)-5-nitro-
CID 205365
5-Nitro-2-furfuryl nitrate
CID 160730
N'-(benzenesulfonyl)-5-nitrofuran-2-carbohydrazide
CID 44346274

Frequently Asked Questions

What is the IUPAC name of 5-nitrofuran-2-carbohydrazide?
The IUPAC name of 5-nitrofuran-2-carbohydrazide (CID 3713598) is 5-nitrofuran-2-carbohydrazide.
What is the SMILES notation for 5-nitrofuran-2-carbohydrazide?
The canonical SMILES for 5-nitrofuran-2-carbohydrazide is NNC(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitrofuran-2-carbohydrazide?
The InChIKey is HRYYAHKXNSUDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O4/c6-7-5(9)3-1-2-4(12-3)8(10)11/h1-2H,6H2,(H,7,9).
What are the key properties of 5-nitrofuran-2-carbohydrazide?
5-nitrofuran-2-carbohydrazide has a molecular weight of 171.11 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitrofuran-2-carbohydrazide is sourced from PubChem (CID 3713598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).