2-(4-cyano-2-nitrophenoxy)pentanehydrazide

C12H14N4O4 — CID 83047253

IUPAC2-(4-cyano-2-nitrophenoxy)pentanehydrazide
SMILESCCCC(Oc1ccc(C#N)cc1[N+](=O)[O-])C(=O)NN
InChIInChI=1S/C12H14N4O4/c1-2-3-11(12(17)15-14)20-10-5-4-8(7-13)6-9(10)16(18)19/h4-6,11H,2-3,14H2,1H3,(H,15,17)
InChIKeyJSWJFEURUKNYMS-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.00
Rot. Bonds6

About 2-(4-cyano-2-nitrophenoxy)pentanehydrazide

2-(4-cyano-2-nitrophenoxy)pentanehydrazide (PubChem CID 83047253) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is 2-(4-cyano-2-nitrophenoxy)pentanehydrazide.

Molecular Properties

Compound Name2-(4-cyano-2-nitrophenoxy)pentanehydrazide
PubChem CID83047253
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC Name2-(4-cyano-2-nitrophenoxy)pentanehydrazide
SMILESCCCC(Oc1ccc(C#N)cc1[N+](=O)[O-])C(=O)NN
InChIInChI=1S/C12H14N4O4/c1-2-3-11(12(17)15-14)20-10-5-4-8(7-13)6-9(10)16(18)19/h4-6,11H,2-3,14H2,1H3,(H,15,17)
InChIKeyJSWJFEURUKNYMS-UHFFFAOYSA-N
XLogP1.00
TPSA131.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.00
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

2-(4-cyano-2-nitrophenoxy)propanamide
CID 47449451
2-(4-cyano-2-nitrophenoxy)-N-prop-2-ynylpropanamide
CID 47449675
ethyl 2-(4-cyano-2-methylphenoxy)pentanoate
CID 143123219
2-amino-N-(4-cyano-2-nitrophenyl)pentanamide
CID 78965671
2-(4-cyano-2-nitrophenoxy)-N-(methylcarbamoyl)propanamide
CID 115595440
2-(2-nitrophenoxy)butanehydrazide
CID 54792980
2-(4-chloro-2-nitrophenoxy)-3-methoxypropanehydrazide
CID 103229241
2-(2-methyl-6-nitrophenoxy)pentanehydrazide
CID 83048033
2-[4-(4-cyano-2-nitrophenoxy)phenoxy]propanamide
CID 133330261
2-(4-cyano-2-nitrophenoxy)-N-pentan-3-ylacetamide
CID 115595443
2-(4,5-dichloro-2-nitrophenoxy)butanehydrazide
CID 107501714
2-(2-fluoro-6-nitrophenoxy)pentanehydrazide
CID 104832467

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-nitrophenoxy)pentanehydrazide?
The IUPAC name of 2-(4-cyano-2-nitrophenoxy)pentanehydrazide (CID 83047253) is 2-(4-cyano-2-nitrophenoxy)pentanehydrazide.
What is the SMILES notation for 2-(4-cyano-2-nitrophenoxy)pentanehydrazide?
The canonical SMILES for 2-(4-cyano-2-nitrophenoxy)pentanehydrazide is CCCC(Oc1ccc(C#N)cc1[N+](=O)[O-])C(=O)NN.
What is the InChIKey of 2-(4-cyano-2-nitrophenoxy)pentanehydrazide?
The InChIKey is JSWJFEURUKNYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4/c1-2-3-11(12(17)15-14)20-10-5-4-8(7-13)6-9(10)16(18)19/h4-6,11H,2-3,14H2,1H3,(H,15,17).
What are the key properties of 2-(4-cyano-2-nitrophenoxy)pentanehydrazide?
2-(4-cyano-2-nitrophenoxy)pentanehydrazide has a molecular weight of 278.27 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-nitrophenoxy)pentanehydrazide is sourced from PubChem (CID 83047253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).