5-nitro-N'-phenylfuran-2-carbohydrazide

C11H9N3O4 — CID 5462738

IUPAC5-nitro-N'-phenylfuran-2-carbohydrazide
SMILESO=C(NNc1ccccc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H9N3O4/c15-11(9-6-7-10(18-9)14(16)17)13-12-8-4-2-1-3-5-8/h1-7,12H,(H,13,15)
InChIKeyCKMTVTCQCSEKSS-UHFFFAOYSA-N
MW247.21 g/mol
LogP1.94
Rot. Bonds4

About 5-nitro-N'-phenylfuran-2-carbohydrazide

5-nitro-N'-phenylfuran-2-carbohydrazide (PubChem CID 5462738) has the molecular formula C11H9N3O4 and a molecular weight of 247.21 g/mol. Its IUPAC name is 5-nitro-N'-phenylfuran-2-carbohydrazide.

Molecular Properties

Compound Name5-nitro-N'-phenylfuran-2-carbohydrazide
PubChem CID5462738
Molecular FormulaC11H9N3O4
Molecular Weight247.21 g/mol
Exact Mass247.06
IUPAC Name5-nitro-N'-phenylfuran-2-carbohydrazide
SMILESO=C(NNc1ccccc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H9N3O4/c15-11(9-6-7-10(18-9)14(16)17)13-12-8-4-2-1-3-5-8/h1-7,12H,(H,13,15)
InChIKeyCKMTVTCQCSEKSS-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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Related Compounds

ethane;5-nitro-N-phenylfuran-2-carboxamide
CID 145187045
N-(4-anilinophenyl)-5-nitrofuran-2-carboxamide
CID 17146584
N'-methyl-5-nitrofuran-2-carbohydrazide
CID 3299962
N'-(2-fluorobenzoyl)-5-nitrofuran-2-carbohydrazide
CID 102603103
N'-(1-benzothiophen-2-yl)-5-nitrofuran-2-carbohydrazide
CID 5492977
N'-(2-methylquinolin-4-yl)-5-nitrofuran-2-carbohydrazide
CID 3714926
1-amino-3-[(5-nitrofuran-2-carbonyl)amino]urea
CID 134117137
2-[(5-nitrofuran-2-carbonyl)amino]acetic acid
CID 2079408
N-(2-iodophenyl)-5-nitrofuran-2-carboxamide
CID 3269060
5-nitro-N-(2-phenylphenyl)furan-2-carboxamide
CID 23829547
5-nitro-N-pyridin-1-ium-3-ylfuran-2-carboxamide
CID 4072489
N-(2-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 17146683

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N'-phenylfuran-2-carbohydrazide?
The IUPAC name of 5-nitro-N'-phenylfuran-2-carbohydrazide (CID 5462738) is 5-nitro-N'-phenylfuran-2-carbohydrazide.
What is the SMILES notation for 5-nitro-N'-phenylfuran-2-carbohydrazide?
The canonical SMILES for 5-nitro-N'-phenylfuran-2-carbohydrazide is O=C(NNc1ccccc1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N'-phenylfuran-2-carbohydrazide?
The InChIKey is CKMTVTCQCSEKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4/c15-11(9-6-7-10(18-9)14(16)17)13-12-8-4-2-1-3-5-8/h1-7,12H,(H,13,15).
What are the key properties of 5-nitro-N'-phenylfuran-2-carbohydrazide?
5-nitro-N'-phenylfuran-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 5-nitro-N'-phenylfuran-2-carbohydrazide is sourced from PubChem (CID 5462738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).