5-[(4-nitrophenoxy)methyl]furan-2-carbohydrazide

C12H11N3O5 — CID 843248

IUPAC5-[(4-nitrophenoxy)methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C12H11N3O5/c13-14-12(16)11-6-5-10(20-11)7-19-9-3-1-8(2-4-9)15(17)18/h1-6H,7,13H2,(H,14,16)
InChIKeyHWOJNBMXKAITPQ-UHFFFAOYSA-N
MW277.24 g/mol
LogP1.37
Rot. Bonds5

About 5-[(4-nitrophenoxy)methyl]furan-2-carbohydrazide

5-[(4-nitrophenoxy)methyl]furan-2-carbohydrazide (PubChem CID 843248) has the molecular formula C12H11N3O5 and a molecular weight of 277.24 g/mol. Its IUPAC name is 5-[(4-nitrophenoxy)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(4-nitrophenoxy)methyl]furan-2-carbohydrazide
PubChem CID843248
Molecular FormulaC12H11N3O5
Molecular Weight277.24 g/mol
Exact Mass277.07
IUPAC Name5-[(4-nitrophenoxy)methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C12H11N3O5/c13-14-12(16)11-6-5-10(20-11)7-19-9-3-1-8(2-4-9)15(17)18/h1-6H,7,13H2,(H,14,16)
InChIKeyHWOJNBMXKAITPQ-UHFFFAOYSA-N
XLogP1.37
TPSA120.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 5-[(4-nitrophenoxy)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(4-nitrophenoxy)methyl]furan-2-carbohydrazide (CID 843248) is 5-[(4-nitrophenoxy)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(4-nitrophenoxy)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(4-nitrophenoxy)methyl]furan-2-carbohydrazide is NNC(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2)o1.
What is the InChIKey of 5-[(4-nitrophenoxy)methyl]furan-2-carbohydrazide?
The InChIKey is HWOJNBMXKAITPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O5/c13-14-12(16)11-6-5-10(20-11)7-19-9-3-1-8(2-4-9)15(17)18/h1-6H,7,13H2,(H,14,16).
What are the key properties of 5-[(4-nitrophenoxy)methyl]furan-2-carbohydrazide?
5-[(4-nitrophenoxy)methyl]furan-2-carbohydrazide has a molecular weight of 277.24 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-nitrophenoxy)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 843248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).