4-(4-cyanophenoxy)pentanehydrazide

C12H15N3O2 — CID 63574803

IUPAC4-(4-cyanophenoxy)pentanehydrazide
SMILESCC(CCC(=O)NN)Oc1ccc(C#N)cc1
InChIInChI=1S/C12H15N3O2/c1-9(2-7-12(16)15-14)17-11-5-3-10(8-13)4-6-11/h3-6,9H,2,7,14H2,1H3,(H,15,16)
InChIKeyUCISGWFKCPASSW-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.10
Rot. Bonds5

About 4-(4-cyanophenoxy)pentanehydrazide

4-(4-cyanophenoxy)pentanehydrazide (PubChem CID 63574803) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-(4-cyanophenoxy)pentanehydrazide.

Molecular Properties

Compound Name4-(4-cyanophenoxy)pentanehydrazide
PubChem CID63574803
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name4-(4-cyanophenoxy)pentanehydrazide
SMILESCC(CCC(=O)NN)Oc1ccc(C#N)cc1
InChIInChI=1S/C12H15N3O2/c1-9(2-7-12(16)15-14)17-11-5-3-10(8-13)4-6-11/h3-6,9H,2,7,14H2,1H3,(H,15,16)
InChIKeyUCISGWFKCPASSW-UHFFFAOYSA-N
XLogP1.10
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.10
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

4-(4-methylsulfonylphenoxy)pentanehydrazide
CID 63569111
4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanehydrazide
CID 55214976
4-(3-fluorophenoxy)pentanehydrazide
CID 63575496
3-[4-(4-cyanophenoxy)phenoxy]butyl prop-2-enoate
CID 166069259
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7983615
(2S)-2-(4-cyanophenoxy)propanoic acid
CID 7127729
4-[(2R)-3-oxobutan-2-yl]oxybenzonitrile
CID 6933766
4-(3-oxopentan-2-yloxy)benzonitrile
CID 64866744
[2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983654
4-pentan-2-yloxybenzohydrazide
CID 57267352
2-(4-cyanophenoxy)-3-hydroxybutanoic acid
CID 18408215
(2R)-2-(4-cyanophenoxy)-3-hydroxybutanoic acid
CID 22890132

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenoxy)pentanehydrazide?
The IUPAC name of 4-(4-cyanophenoxy)pentanehydrazide (CID 63574803) is 4-(4-cyanophenoxy)pentanehydrazide.
What is the SMILES notation for 4-(4-cyanophenoxy)pentanehydrazide?
The canonical SMILES for 4-(4-cyanophenoxy)pentanehydrazide is CC(CCC(=O)NN)Oc1ccc(C#N)cc1.
What is the InChIKey of 4-(4-cyanophenoxy)pentanehydrazide?
The InChIKey is UCISGWFKCPASSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9(2-7-12(16)15-14)17-11-5-3-10(8-13)4-6-11/h3-6,9H,2,7,14H2,1H3,(H,15,16).
What are the key properties of 4-(4-cyanophenoxy)pentanehydrazide?
4-(4-cyanophenoxy)pentanehydrazide has a molecular weight of 233.27 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenoxy)pentanehydrazide is sourced from PubChem (CID 63574803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).