N'-methyl-5-nitrofuran-2-carbohydrazide

C6H7N3O4 — CID 3299962

IUPACN'-methyl-5-nitrofuran-2-carbohydrazide
SMILESCNNC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C6H7N3O4/c1-7-8-6(10)4-2-3-5(13-4)9(11)12/h2-3,7H,1H3,(H,8,10)
InChIKeyBXFODLODCCUQLA-UHFFFAOYSA-N
MW185.14 g/mol
LogP0.05
Rot. Bonds3

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

N'-methyl-5-nitrofuran-2-carbohydrazide (PubChem CID 3299962) has the molecular formula C6H7N3O4 and a molecular weight of 185.14 g/mol. Its IUPAC name is N'-methyl-5-nitrofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-methyl-5-nitrofuran-2-carbohydrazide
PubChem CID3299962
Molecular FormulaC6H7N3O4
Molecular Weight185.14 g/mol
Exact Mass185.04
IUPAC NameN'-methyl-5-nitrofuran-2-carbohydrazide
SMILESCNNC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C6H7N3O4/c1-7-8-6(10)4-2-3-5(13-4)9(11)12/h2-3,7H,1H3,(H,8,10)
InChIKeyBXFODLODCCUQLA-UHFFFAOYSA-N
XLogP0.05
TPSA97.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.05
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

1-amino-3-[(5-nitrofuran-2-carbonyl)amino]urea
CID 134117137
N-[2-(methylamino)ethyl]-5-nitrofuran-2-carboxamide
CID 62658342
5-nitro-N'-phenylfuran-2-carbohydrazide
CID 5462738
ethane;5-nitro-N-phenylfuran-2-carboxamide
CID 145187045
2-methyl-2-[(5-nitrofuran-2-carbonyl)amino]propanoic acid
CID 61261680
N'-(2-fluorobenzoyl)-5-nitrofuran-2-carbohydrazide
CID 102603103
2-[(5-nitrofuran-2-carbonyl)amino]acetic acid
CID 2079408
1-methyl-3-[2-(5-nitrofuran-2-yl)-2-oxoethyl]urea
CID 59095697
N-butan-2-yl-5-nitrofuran-2-carboxamide
CID 4273319
N-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide
CID 757048
5-nitro-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
CID 17146023
N-(2-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 17146683

Frequently Asked Questions

What is the IUPAC name of N'-methyl-5-nitrofuran-2-carbohydrazide?
The IUPAC name of N'-methyl-5-nitrofuran-2-carbohydrazide (CID 3299962) is N'-methyl-5-nitrofuran-2-carbohydrazide.
What is the SMILES notation for N'-methyl-5-nitrofuran-2-carbohydrazide?
The canonical SMILES for N'-methyl-5-nitrofuran-2-carbohydrazide is CNNC(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N'-methyl-5-nitrofuran-2-carbohydrazide?
The InChIKey is BXFODLODCCUQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O4/c1-7-8-6(10)4-2-3-5(13-4)9(11)12/h2-3,7H,1H3,(H,8,10).
What are the key properties of N'-methyl-5-nitrofuran-2-carbohydrazide?
N'-methyl-5-nitrofuran-2-carbohydrazide has a molecular weight of 185.14 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-5-nitrofuran-2-carbohydrazide is sourced from PubChem (CID 3299962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).