N'-benzoyl-5-nitrofuran-2-carbohydrazide

C12H9N3O5 — CID 3794983

IUPACN'-benzoyl-5-nitrofuran-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1
InChIInChI=1S/C12H9N3O5/c16-11(8-4-2-1-3-5-8)13-14-12(17)9-6-7-10(20-9)15(18)19/h1-7H,(H,13,16)(H,14,17)
InChIKeyNRILHXUEHSTWTI-UHFFFAOYSA-N
MW275.22 g/mol
LogP1.26
Rot. Bonds3

About N'-benzoyl-5-nitrofuran-2-carbohydrazide

N'-benzoyl-5-nitrofuran-2-carbohydrazide (PubChem CID 3794983) has the molecular formula C12H9N3O5 and a molecular weight of 275.22 g/mol. Its IUPAC name is N'-benzoyl-5-nitrofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-5-nitrofuran-2-carbohydrazide
PubChem CID3794983
Molecular FormulaC12H9N3O5
Molecular Weight275.22 g/mol
Exact Mass275.05
IUPAC NameN'-benzoyl-5-nitrofuran-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1
InChIInChI=1S/C12H9N3O5/c16-11(8-4-2-1-3-5-8)13-14-12(17)9-6-7-10(20-9)15(18)19/h1-7H,(H,13,16)(H,14,17)
InChIKeyNRILHXUEHSTWTI-UHFFFAOYSA-N
XLogP1.26
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 51.26
H-Bond Donors ≤ 52
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 N'-benzoyl-5-nitrofuran-2-carbohydrazide?
The IUPAC name of N'-benzoyl-5-nitrofuran-2-carbohydrazide (CID 3794983) is N'-benzoyl-5-nitrofuran-2-carbohydrazide.
What is the SMILES notation for N'-benzoyl-5-nitrofuran-2-carbohydrazide?
The canonical SMILES for N'-benzoyl-5-nitrofuran-2-carbohydrazide is O=C(NNC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1.
What is the InChIKey of N'-benzoyl-5-nitrofuran-2-carbohydrazide?
The InChIKey is NRILHXUEHSTWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O5/c16-11(8-4-2-1-3-5-8)13-14-12(17)9-6-7-10(20-9)15(18)19/h1-7H,(H,13,16)(H,14,17).
What are the key properties of N'-benzoyl-5-nitrofuran-2-carbohydrazide?
N'-benzoyl-5-nitrofuran-2-carbohydrazide has a molecular weight of 275.22 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-5-nitrofuran-2-carbohydrazide is sourced from PubChem (CID 3794983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).