3-[(4-cyano-2,6-dimethylphenoxy)methyl]furan-2-carbohydrazide

C15H15N3O3 — CID 65472904

IUPAC3-[(4-cyano-2,6-dimethylphenoxy)methyl]furan-2-carbohydrazide
SMILESCc1cc(C#N)cc(C)c1OCc1ccoc1C(=O)NN
InChIInChI=1S/C15H15N3O3/c1-9-5-11(7-16)6-10(2)13(9)21-8-12-3-4-20-14(12)15(19)18-17/h3-6H,8,17H2,1-2H3,(H,18,19)
InChIKeyWSBAOMKQCAVMGL-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.95
Rot. Bonds4

About 3-[(4-cyano-2,6-dimethylphenoxy)methyl]furan-2-carbohydrazide

3-[(4-cyano-2,6-dimethylphenoxy)methyl]furan-2-carbohydrazide (PubChem CID 65472904) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-[(4-cyano-2,6-dimethylphenoxy)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-[(4-cyano-2,6-dimethylphenoxy)methyl]furan-2-carbohydrazide
PubChem CID65472904
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name3-[(4-cyano-2,6-dimethylphenoxy)methyl]furan-2-carbohydrazide
SMILESCc1cc(C#N)cc(C)c1OCc1ccoc1C(=O)NN
InChIInChI=1S/C15H15N3O3/c1-9-5-11(7-16)6-10(2)13(9)21-8-12-3-4-20-14(12)15(19)18-17/h3-6H,8,17H2,1-2H3,(H,18,19)
InChIKeyWSBAOMKQCAVMGL-UHFFFAOYSA-N
XLogP1.95
TPSA101.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 3-[(4-cyano-2,6-dimethylphenoxy)methyl]furan-2-carbohydrazide?
The IUPAC name of 3-[(4-cyano-2,6-dimethylphenoxy)methyl]furan-2-carbohydrazide (CID 65472904) is 3-[(4-cyano-2,6-dimethylphenoxy)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-[(4-cyano-2,6-dimethylphenoxy)methyl]furan-2-carbohydrazide?
The canonical SMILES for 3-[(4-cyano-2,6-dimethylphenoxy)methyl]furan-2-carbohydrazide is Cc1cc(C#N)cc(C)c1OCc1ccoc1C(=O)NN.
What is the InChIKey of 3-[(4-cyano-2,6-dimethylphenoxy)methyl]furan-2-carbohydrazide?
The InChIKey is WSBAOMKQCAVMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9-5-11(7-16)6-10(2)13(9)21-8-12-3-4-20-14(12)15(19)18-17/h3-6H,8,17H2,1-2H3,(H,18,19).
What are the key properties of 3-[(4-cyano-2,6-dimethylphenoxy)methyl]furan-2-carbohydrazide?
3-[(4-cyano-2,6-dimethylphenoxy)methyl]furan-2-carbohydrazide has a molecular weight of 285.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyano-2,6-dimethylphenoxy)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 65472904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).