ethyl (E)-2-diazonon-3-enoate

C11H18N2O2 — CID 101377262

IUPACethyl (E)-2-diazonon-3-enoate
SMILESCCCCC/C=C/C(=[N+]=[N-])C(=O)OCC
InChIInChI=1S/C11H18N2O2/c1-3-5-6-7-8-9-10(13-12)11(14)15-4-2/h8-9H,3-7H2,1-2H3/b9-8+
InChIKeyWOSGPVIOZGMKQZ-CMDGGOBGSA-N
MW210.28 g/mol
LogP2.36
Rot. Bonds7

About ethyl (E)-2-diazonon-3-enoate

ethyl (E)-2-diazonon-3-enoate (PubChem CID 101377262) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is ethyl (E)-2-diazonon-3-enoate.

Molecular Properties

Compound Nameethyl (E)-2-diazonon-3-enoate
PubChem CID101377262
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Nameethyl (E)-2-diazonon-3-enoate
SMILESCCCCC/C=C/C(=[N+]=[N-])C(=O)OCC
InChIInChI=1S/C11H18N2O2/c1-3-5-6-7-8-9-10(13-12)11(14)15-4-2/h8-9H,3-7H2,1-2H3/b9-8+
InChIKeyWOSGPVIOZGMKQZ-CMDGGOBGSA-N
XLogP2.36
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-diazonon-3-enoate?
The IUPAC name of ethyl (E)-2-diazonon-3-enoate (CID 101377262) is ethyl (E)-2-diazonon-3-enoate.
What is the SMILES notation for ethyl (E)-2-diazonon-3-enoate?
The canonical SMILES for ethyl (E)-2-diazonon-3-enoate is CCCCC/C=C/C(=[N+]=[N-])C(=O)OCC.
What is the InChIKey of ethyl (E)-2-diazonon-3-enoate?
The InChIKey is WOSGPVIOZGMKQZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-5-6-7-8-9-10(13-12)11(14)15-4-2/h8-9H,3-7H2,1-2H3/b9-8+.
What are the key properties of ethyl (E)-2-diazonon-3-enoate?
ethyl (E)-2-diazonon-3-enoate has a molecular weight of 210.28 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-diazonon-3-enoate is sourced from PubChem (CID 101377262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).