[(Z)-hex-2-enyl] 2-diazopropanoate

C9H14N2O2 — CID 135443706

IUPAC[(Z)-hex-2-enyl] 2-diazopropanoate
SMILESCCC/C=C\COC(=O)C(C)=[N+]=[N-]
InChIInChI=1S/C9H14N2O2/c1-3-4-5-6-7-13-9(12)8(2)11-10/h5-6H,3-4,7H2,1-2H3/b6-5-
InChIKeyMIRPHCUEQYGXPT-WAYWQWQTSA-N
MW182.22 g/mol
LogP1.58
Rot. Bonds5

About [(Z)-hex-2-enyl] 2-diazopropanoate

[(Z)-hex-2-enyl] 2-diazopropanoate (PubChem CID 135443706) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is [(Z)-hex-2-enyl] 2-diazopropanoate.

Molecular Properties

Compound Name[(Z)-hex-2-enyl] 2-diazopropanoate
PubChem CID135443706
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name[(Z)-hex-2-enyl] 2-diazopropanoate
SMILESCCC/C=C\COC(=O)C(C)=[N+]=[N-]
InChIInChI=1S/C9H14N2O2/c1-3-4-5-6-7-13-9(12)8(2)11-10/h5-6H,3-4,7H2,1-2H3/b6-5-
InChIKeyMIRPHCUEQYGXPT-WAYWQWQTSA-N
XLogP1.58
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-hex-2-enyl] 2-diazopropanoate?
The IUPAC name of [(Z)-hex-2-enyl] 2-diazopropanoate (CID 135443706) is [(Z)-hex-2-enyl] 2-diazopropanoate.
What is the SMILES notation for [(Z)-hex-2-enyl] 2-diazopropanoate?
The canonical SMILES for [(Z)-hex-2-enyl] 2-diazopropanoate is CCC/C=C\COC(=O)C(C)=[N+]=[N-].
What is the InChIKey of [(Z)-hex-2-enyl] 2-diazopropanoate?
The InChIKey is MIRPHCUEQYGXPT-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-4-5-6-7-13-9(12)8(2)11-10/h5-6H,3-4,7H2,1-2H3/b6-5-.
What are the key properties of [(Z)-hex-2-enyl] 2-diazopropanoate?
[(Z)-hex-2-enyl] 2-diazopropanoate has a molecular weight of 182.22 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hex-2-enyl] 2-diazopropanoate is sourced from PubChem (CID 135443706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).