2-(5-cyano-2-methylphenoxy)acetohydrazide

C10H11N3O2 — CID 107661565

IUPAC2-(5-cyano-2-methylphenoxy)acetohydrazide
SMILESCc1ccc(C#N)cc1OCC(=O)NN
InChIInChI=1S/C10H11N3O2/c1-7-2-3-8(5-11)4-9(7)15-6-10(14)13-12/h2-4H,6,12H2,1H3,(H,13,14)
InChIKeyTUBXBBZOUQSPTE-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.24
Rot. Bonds3

About 2-(5-cyano-2-methylphenoxy)acetohydrazide

2-(5-cyano-2-methylphenoxy)acetohydrazide (PubChem CID 107661565) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-(5-cyano-2-methylphenoxy)acetohydrazide.

Molecular Properties

Compound Name2-(5-cyano-2-methylphenoxy)acetohydrazide
PubChem CID107661565
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name2-(5-cyano-2-methylphenoxy)acetohydrazide
SMILESCc1ccc(C#N)cc1OCC(=O)NN
InChIInChI=1S/C10H11N3O2/c1-7-2-3-8(5-11)4-9(7)15-6-10(14)13-12/h2-4H,6,12H2,1H3,(H,13,14)
InChIKeyTUBXBBZOUQSPTE-UHFFFAOYSA-N
XLogP0.24
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

2-(5-cyano-2-methylphenoxy)-N-phenylacetamide
CID 103760055
2-(5-cyano-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 103760377
2-(5-cyano-2-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 103760436
2-(5-cyano-2-methylphenoxy)-2,2-difluoroacetohydrazide
CID 107661575
2-[(5-cyano-2-methylphenoxy)methyl]benzohydrazide
CID 107661586
3-[2-(4-chlorophenyl)-2-oxoethoxy]-4-methylbenzonitrile
CID 103760383
2-[(5-cyano-2-methylphenoxy)methyl]furan-3-carbohydrazide
CID 107661566
N-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 2492394
4-(5-cyano-2-methylphenoxy)butanoic acid
CID 107654879
4-methyl-3-[2-(4-methylsulfanylphenyl)-2-oxoethoxy]benzonitrile
CID 107659317
3-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-methylbenzonitrile
CID 103760397
3-[2-(furan-2-yl)-2-oxoethoxy]-4-methylbenzonitrile
CID 107659316

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-2-methylphenoxy)acetohydrazide?
The IUPAC name of 2-(5-cyano-2-methylphenoxy)acetohydrazide (CID 107661565) is 2-(5-cyano-2-methylphenoxy)acetohydrazide.
What is the SMILES notation for 2-(5-cyano-2-methylphenoxy)acetohydrazide?
The canonical SMILES for 2-(5-cyano-2-methylphenoxy)acetohydrazide is Cc1ccc(C#N)cc1OCC(=O)NN.
What is the InChIKey of 2-(5-cyano-2-methylphenoxy)acetohydrazide?
The InChIKey is TUBXBBZOUQSPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-7-2-3-8(5-11)4-9(7)15-6-10(14)13-12/h2-4H,6,12H2,1H3,(H,13,14).
What are the key properties of 2-(5-cyano-2-methylphenoxy)acetohydrazide?
2-(5-cyano-2-methylphenoxy)acetohydrazide has a molecular weight of 205.22 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-2-methylphenoxy)acetohydrazide is sourced from PubChem (CID 107661565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).