3-[(2E)-cyclooct-2-en-1-yl]oxypropanehydrazide

C11H20N2O2 — CID 155273444

IUPAC3-[(2E)-cyclooct-2-en-1-yl]oxypropanehydrazide
SMILESNNC(=O)CCOC1/C=C\CCCCC1
InChIInChI=1S/C11H20N2O2/c12-13-11(14)8-9-15-10-6-4-2-1-3-5-7-10/h4,6,10H,1-3,5,7-9,12H2,(H,13,14)/b6-4-
InChIKeyHXBXUOZSFJMWMC-XQRVVYSFSA-N
MW212.29 g/mol
LogP1.27
Rot. Bonds4

About 3-[(2E)-cyclooct-2-en-1-yl]oxypropanehydrazide

3-[(2E)-cyclooct-2-en-1-yl]oxypropanehydrazide (PubChem CID 155273444) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-[(2E)-cyclooct-2-en-1-yl]oxypropanehydrazide.

Molecular Properties

Compound Name3-[(2E)-cyclooct-2-en-1-yl]oxypropanehydrazide
PubChem CID155273444
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-[(2E)-cyclooct-2-en-1-yl]oxypropanehydrazide
SMILESNNC(=O)CCOC1/C=C\CCCCC1
InChIInChI=1S/C11H20N2O2/c12-13-11(14)8-9-15-10-6-4-2-1-3-5-7-10/h4,6,10H,1-3,5,7-9,12H2,(H,13,14)/b6-4-
InChIKeyHXBXUOZSFJMWMC-XQRVVYSFSA-N
XLogP1.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2Z)-cyclooct-2-en-1-yl]oxyethanol
CID 130297683
2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-methylacetamide
CID 167046429
2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-[2-[2-(methylamino)ethoxy]ethyl]acetamide
CID 156533034
[(2Z)-cyclonon-2-en-1-yl] ethyl carbonate
CID 10856794
(1Z)-3-hydroperoxycyclodecene
CID 10397221
[(1S,2E)-cyclooct-2-en-1-yl] N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate
CID 169450345
4-[[(2Z)-cyclooct-2-en-1-yl]oxymethyl]benzoic acid
CID 131983406
cyclohept-2-en-1-yl ethyl carbonate
CID 15310932
[(1R)-cyclohept-2-en-1-yl] acetate
CID 12858459
[(1R)-cyclohept-2-en-1-yl] 2-methylpropanoate
CID 14932680
[(2E)-cyclooct-2-en-1-yl] 3,3-dimethylbutanoate
CID 157293657
3-amino-4-[2-[(2E)-cyclooct-2-en-1-yl]oxycarbonylhydrazinyl]-4-oxobutanoic acid
CID 155273452

Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-cyclooct-2-en-1-yl]oxypropanehydrazide?
The IUPAC name of 3-[(2E)-cyclooct-2-en-1-yl]oxypropanehydrazide (CID 155273444) is 3-[(2E)-cyclooct-2-en-1-yl]oxypropanehydrazide.
What is the SMILES notation for 3-[(2E)-cyclooct-2-en-1-yl]oxypropanehydrazide?
The canonical SMILES for 3-[(2E)-cyclooct-2-en-1-yl]oxypropanehydrazide is NNC(=O)CCOC1/C=C\CCCCC1.
What is the InChIKey of 3-[(2E)-cyclooct-2-en-1-yl]oxypropanehydrazide?
The InChIKey is HXBXUOZSFJMWMC-XQRVVYSFSA-N. The full InChI is InChI=1S/C11H20N2O2/c12-13-11(14)8-9-15-10-6-4-2-1-3-5-7-10/h4,6,10H,1-3,5,7-9,12H2,(H,13,14)/b6-4-.
What are the key properties of 3-[(2E)-cyclooct-2-en-1-yl]oxypropanehydrazide?
3-[(2E)-cyclooct-2-en-1-yl]oxypropanehydrazide has a molecular weight of 212.29 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-cyclooct-2-en-1-yl]oxypropanehydrazide is sourced from PubChem (CID 155273444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).