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

C13H13N3O5 — CID 63574456

IUPAC5-methyl-4-[(2-nitrophenoxy)methyl]furan-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H13N3O5/c1-8-9(6-12(21-8)13(17)15-14)7-20-11-5-3-2-4-10(11)16(18)19/h2-6H,7,14H2,1H3,(H,15,17)
InChIKeyFQNMGZRZNCHMNC-UHFFFAOYSA-N
MW291.26 g/mol
LogP1.68
Rot. Bonds5

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

5-methyl-4-[(2-nitrophenoxy)methyl]furan-2-carbohydrazide (PubChem CID 63574456) has the molecular formula C13H13N3O5 and a molecular weight of 291.26 g/mol. Its IUPAC name is 5-methyl-4-[(2-nitrophenoxy)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-methyl-4-[(2-nitrophenoxy)methyl]furan-2-carbohydrazide
PubChem CID63574456
Molecular FormulaC13H13N3O5
Molecular Weight291.26 g/mol
Exact Mass291.09
IUPAC Name5-methyl-4-[(2-nitrophenoxy)methyl]furan-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H13N3O5/c1-8-9(6-12(21-8)13(17)15-14)7-20-11-5-3-2-4-10(11)16(18)19/h2-6H,7,14H2,1H3,(H,15,17)
InChIKeyFQNMGZRZNCHMNC-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

4-[(2-chlorophenoxy)methyl]-5-methylfuran-2-carbohydrazide
CID 55212421
5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide
CID 63574464
5-[(2-methyl-3-nitrophenoxy)methyl]furan-2-carbohydrazide
CID 63568555
2-methyl-5-[(2-nitrophenoxy)methyl]furan-3-carboxylic acid
CID 43394449
4-[(3-ethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide
CID 63576037
4-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methoxy]benzamide
CID 63575000
4-[(2-iodophenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 62275317
5-[(2-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 19446371
5-methyl-4-(3-phenylpropoxymethyl)furan-2-carbohydrazide
CID 63570213
4-(hydroxymethyl)-5-methylfuran-2-carbohydrazide
CID 63576410
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-5-methylfuran-2-carbohydrazide
CID 63575043
4-[(N,2-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide
CID 63584013

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(2-nitrophenoxy)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-methyl-4-[(2-nitrophenoxy)methyl]furan-2-carbohydrazide (CID 63574456) is 5-methyl-4-[(2-nitrophenoxy)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-methyl-4-[(2-nitrophenoxy)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-methyl-4-[(2-nitrophenoxy)methyl]furan-2-carbohydrazide is Cc1oc(C(=O)NN)cc1COc1ccccc1[N+](=O)[O-].
What is the InChIKey of 5-methyl-4-[(2-nitrophenoxy)methyl]furan-2-carbohydrazide?
The InChIKey is FQNMGZRZNCHMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O5/c1-8-9(6-12(21-8)13(17)15-14)7-20-11-5-3-2-4-10(11)16(18)19/h2-6H,7,14H2,1H3,(H,15,17).
What are the key properties of 5-methyl-4-[(2-nitrophenoxy)methyl]furan-2-carbohydrazide?
5-methyl-4-[(2-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-methyl-4-[(2-nitrophenoxy)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63574456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).