4-ethoxyhept-1-en-3-ylhydrazine

C9H20N2O — CID 105271285

IUPAC4-ethoxyhept-1-en-3-ylhydrazine
SMILESC=CC(NN)C(CCC)OCC
InChIInChI=1S/C9H20N2O/c1-4-7-9(12-6-3)8(5-2)11-10/h5,8-9,11H,2,4,6-7,10H2,1,3H3
InChIKeyKAOBIFCLZKFOTM-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.21
Rot. Bonds7

About 4-ethoxyhept-1-en-3-ylhydrazine

4-ethoxyhept-1-en-3-ylhydrazine (PubChem CID 105271285) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-ethoxyhept-1-en-3-ylhydrazine.

Molecular Properties

Compound Name4-ethoxyhept-1-en-3-ylhydrazine
PubChem CID105271285
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name4-ethoxyhept-1-en-3-ylhydrazine
SMILESC=CC(NN)C(CCC)OCC
InChIInChI=1S/C9H20N2O/c1-4-7-9(12-6-3)8(5-2)11-10/h5,8-9,11H,2,4,6-7,10H2,1,3H3
InChIKeyKAOBIFCLZKFOTM-UHFFFAOYSA-N
XLogP1.21
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of 4-ethoxyhept-1-en-3-ylhydrazine?
The IUPAC name of 4-ethoxyhept-1-en-3-ylhydrazine (CID 105271285) is 4-ethoxyhept-1-en-3-ylhydrazine.
What is the SMILES notation for 4-ethoxyhept-1-en-3-ylhydrazine?
The canonical SMILES for 4-ethoxyhept-1-en-3-ylhydrazine is C=CC(NN)C(CCC)OCC.
What is the InChIKey of 4-ethoxyhept-1-en-3-ylhydrazine?
The InChIKey is KAOBIFCLZKFOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-7-9(12-6-3)8(5-2)11-10/h5,8-9,11H,2,4,6-7,10H2,1,3H3.
What are the key properties of 4-ethoxyhept-1-en-3-ylhydrazine?
4-ethoxyhept-1-en-3-ylhydrazine has a molecular weight of 172.27 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxyhept-1-en-3-ylhydrazine is sourced from PubChem (CID 105271285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).