5-[(2-methyl-3-nitrophenoxy)methyl]furan-2-carbohydrazide

C13H13N3O5 — CID 63568555

IUPAC5-[(2-methyl-3-nitrophenoxy)methyl]furan-2-carbohydrazide
SMILESCc1c(OCc2ccc(C(=O)NN)o2)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H13N3O5/c1-8-10(16(18)19)3-2-4-11(8)20-7-9-5-6-12(21-9)13(17)15-14/h2-6H,7,14H2,1H3,(H,15,17)
InChIKeyMYPZKBFHNOIJGE-UHFFFAOYSA-N
MW291.26 g/mol
LogP1.68
Rot. Bonds5

About 5-[(2-methyl-3-nitrophenoxy)methyl]furan-2-carbohydrazide

5-[(2-methyl-3-nitrophenoxy)methyl]furan-2-carbohydrazide (PubChem CID 63568555) has the molecular formula C13H13N3O5 and a molecular weight of 291.26 g/mol. Its IUPAC name is 5-[(2-methyl-3-nitrophenoxy)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(2-methyl-3-nitrophenoxy)methyl]furan-2-carbohydrazide
PubChem CID63568555
Molecular FormulaC13H13N3O5
Molecular Weight291.26 g/mol
Exact Mass291.09
IUPAC Name5-[(2-methyl-3-nitrophenoxy)methyl]furan-2-carbohydrazide
SMILESCc1c(OCc2ccc(C(=O)NN)o2)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H13N3O5/c1-8-10(16(18)19)3-2-4-11(8)20-7-9-5-6-12(21-9)13(17)15-14/h2-6H,7,14H2,1H3,(H,15,17)
InChIKeyMYPZKBFHNOIJGE-UHFFFAOYSA-N
XLogP1.68
TPSA120.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 51.68
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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Related Compounds

5-[(2-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 19446371
5-[(2-ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 7018661
N-hexyl-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19446298
5-[(3-chloro-4-nitrophenoxy)methyl]furan-2-carbohydrazide
CID 63570004
5-methyl-4-[(2-nitrophenoxy)methyl]furan-2-carbohydrazide
CID 63574456
N-(1,3-dimethylpyrazol-4-yl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19346038
N-[1-(4-butan-2-ylphenyl)propyl]-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19446361
N-(cyclododecylideneamino)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 5243847
5-[(2,4-difluorophenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)furan-2-carboxamide
CID 19453273
5-[(4-methylsulfonylphenoxy)methyl]furan-2-carbohydrazide
CID 63568571
2-(2-methyl-3-nitrophenoxy)acetamide
CID 47214184
5-[(2-methyl-3-nitrophenoxy)methyl]pyridin-2-amine
CID 62195557

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-3-nitrophenoxy)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(2-methyl-3-nitrophenoxy)methyl]furan-2-carbohydrazide (CID 63568555) is 5-[(2-methyl-3-nitrophenoxy)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(2-methyl-3-nitrophenoxy)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(2-methyl-3-nitrophenoxy)methyl]furan-2-carbohydrazide is Cc1c(OCc2ccc(C(=O)NN)o2)cccc1[N+](=O)[O-].
What is the InChIKey of 5-[(2-methyl-3-nitrophenoxy)methyl]furan-2-carbohydrazide?
The InChIKey is MYPZKBFHNOIJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O5/c1-8-10(16(18)19)3-2-4-11(8)20-7-9-5-6-12(21-9)13(17)15-14/h2-6H,7,14H2,1H3,(H,15,17).
What are the key properties of 5-[(2-methyl-3-nitrophenoxy)methyl]furan-2-carbohydrazide?
5-[(2-methyl-3-nitrophenoxy)methyl]furan-2-carbohydrazide has a molecular weight of 291.26 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-3-nitrophenoxy)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63568555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).