N'-(4-nitrophenyl)furan-2-carbohydrazide

C11H9N3O4 — CID 3490247

IUPACN'-(4-nitrophenyl)furan-2-carbohydrazide
SMILESO=C(NNc1ccc([N+](=O)[O-])cc1)c1ccco1
InChIInChI=1S/C11H9N3O4/c15-11(10-2-1-7-18-10)13-12-8-3-5-9(6-4-8)14(16)17/h1-7,12H,(H,13,15)
InChIKeyNRQADWUYGDRSNY-UHFFFAOYSA-N
MW247.21 g/mol
LogP1.94
Rot. Bonds4

About N'-(4-nitrophenyl)furan-2-carbohydrazide

N'-(4-nitrophenyl)furan-2-carbohydrazide (PubChem CID 3490247) has the molecular formula C11H9N3O4 and a molecular weight of 247.21 g/mol. Its IUPAC name is N'-(4-nitrophenyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-nitrophenyl)furan-2-carbohydrazide
PubChem CID3490247
Molecular FormulaC11H9N3O4
Molecular Weight247.21 g/mol
Exact Mass247.06
IUPAC NameN'-(4-nitrophenyl)furan-2-carbohydrazide
SMILESO=C(NNc1ccc([N+](=O)[O-])cc1)c1ccco1
InChIInChI=1S/C11H9N3O4/c15-11(10-2-1-7-18-10)13-12-8-3-5-9(6-4-8)14(16)17/h1-7,12H,(H,13,15)
InChIKeyNRQADWUYGDRSNY-UHFFFAOYSA-N
XLogP1.94
TPSA97.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 51.94
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'-(4-nitrophenyl)furan-2-carbohydrazide?
The IUPAC name of N'-(4-nitrophenyl)furan-2-carbohydrazide (CID 3490247) is N'-(4-nitrophenyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(4-nitrophenyl)furan-2-carbohydrazide?
The canonical SMILES for N'-(4-nitrophenyl)furan-2-carbohydrazide is O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccco1.
What is the InChIKey of N'-(4-nitrophenyl)furan-2-carbohydrazide?
The InChIKey is NRQADWUYGDRSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4/c15-11(10-2-1-7-18-10)13-12-8-3-5-9(6-4-8)14(16)17/h1-7,12H,(H,13,15).
What are the key properties of N'-(4-nitrophenyl)furan-2-carbohydrazide?
N'-(4-nitrophenyl)furan-2-carbohydrazide has a molecular weight of 247.21 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-nitrophenyl)furan-2-carbohydrazide is sourced from PubChem (CID 3490247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).