N'-(2-cyanoacetyl)-2-ethylhexanehydrazide

C11H19N3O2 — CID 19902487

IUPACN'-(2-cyanoacetyl)-2-ethylhexanehydrazide
SMILESCCCCC(CC)C(=O)NNC(=O)CC#N
InChIInChI=1S/C11H19N3O2/c1-3-5-6-9(4-2)11(16)14-13-10(15)7-8-12/h9H,3-7H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyHEBZRUXYGATKGM-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.26
Rot. Bonds6

About N'-(2-cyanoacetyl)-2-ethylhexanehydrazide

N'-(2-cyanoacetyl)-2-ethylhexanehydrazide (PubChem CID 19902487) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N'-(2-cyanoacetyl)-2-ethylhexanehydrazide.

Molecular Properties

Compound NameN'-(2-cyanoacetyl)-2-ethylhexanehydrazide
PubChem CID19902487
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN'-(2-cyanoacetyl)-2-ethylhexanehydrazide
SMILESCCCCC(CC)C(=O)NNC(=O)CC#N
InChIInChI=1S/C11H19N3O2/c1-3-5-6-9(4-2)11(16)14-13-10(15)7-8-12/h9H,3-7H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyHEBZRUXYGATKGM-UHFFFAOYSA-N
XLogP1.26
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-cyanoacetyl)-2-ethylhexanehydrazide?
The IUPAC name of N'-(2-cyanoacetyl)-2-ethylhexanehydrazide (CID 19902487) is N'-(2-cyanoacetyl)-2-ethylhexanehydrazide.
What is the SMILES notation for N'-(2-cyanoacetyl)-2-ethylhexanehydrazide?
The canonical SMILES for N'-(2-cyanoacetyl)-2-ethylhexanehydrazide is CCCCC(CC)C(=O)NNC(=O)CC#N.
What is the InChIKey of N'-(2-cyanoacetyl)-2-ethylhexanehydrazide?
The InChIKey is HEBZRUXYGATKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-5-6-9(4-2)11(16)14-13-10(15)7-8-12/h9H,3-7H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N'-(2-cyanoacetyl)-2-ethylhexanehydrazide?
N'-(2-cyanoacetyl)-2-ethylhexanehydrazide has a molecular weight of 225.29 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyanoacetyl)-2-ethylhexanehydrazide is sourced from PubChem (CID 19902487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).