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

C7H10N2O2 — CID 101231457

IUPACethyl (E)-2-diazopent-3-enoate
SMILESC/C=C/C(=[N+]=[N-])C(=O)OCC
InChIInChI=1S/C7H10N2O2/c1-3-5-6(9-8)7(10)11-4-2/h3,5H,4H2,1-2H3/b5-3+
InChIKeyBOTISQRGRACBEI-HWKANZROSA-N
MW154.17 g/mol
LogP0.80
Rot. Bonds3

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

ethyl (E)-2-diazopent-3-enoate (PubChem CID 101231457) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is ethyl (E)-2-diazopent-3-enoate.

Molecular Properties

Compound Nameethyl (E)-2-diazopent-3-enoate
PubChem CID101231457
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Nameethyl (E)-2-diazopent-3-enoate
SMILESC/C=C/C(=[N+]=[N-])C(=O)OCC
InChIInChI=1S/C7H10N2O2/c1-3-5-6(9-8)7(10)11-4-2/h3,5H,4H2,1-2H3/b5-3+
InChIKeyBOTISQRGRACBEI-HWKANZROSA-N
XLogP0.80
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.80
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-diazopent-3-enoate?
The IUPAC name of ethyl (E)-2-diazopent-3-enoate (CID 101231457) is ethyl (E)-2-diazopent-3-enoate.
What is the SMILES notation for ethyl (E)-2-diazopent-3-enoate?
The canonical SMILES for ethyl (E)-2-diazopent-3-enoate is C/C=C/C(=[N+]=[N-])C(=O)OCC.
What is the InChIKey of ethyl (E)-2-diazopent-3-enoate?
The InChIKey is BOTISQRGRACBEI-HWKANZROSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-3-5-6(9-8)7(10)11-4-2/h3,5H,4H2,1-2H3/b5-3+.
What are the key properties of ethyl (E)-2-diazopent-3-enoate?
ethyl (E)-2-diazopent-3-enoate has a molecular weight of 154.17 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-diazopent-3-enoate is sourced from PubChem (CID 101231457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).