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

C6H8N2O2 — CID 86761092

IUPACmethyl (E)-2-diazopent-3-enoate
SMILESC/C=C/C(=[N+]=[N-])C(=O)OC
InChIInChI=1S/C6H8N2O2/c1-3-4-5(8-7)6(9)10-2/h3-4H,1-2H3/b4-3+
InChIKeyDTNRKKVDTIPZFT-ONEGZZNKSA-N
MW140.14 g/mol
LogP0.41
Rot. Bonds2

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

methyl (E)-2-diazopent-3-enoate (PubChem CID 86761092) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is methyl (E)-2-diazopent-3-enoate.

Molecular Properties

Compound Namemethyl (E)-2-diazopent-3-enoate
PubChem CID86761092
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Namemethyl (E)-2-diazopent-3-enoate
SMILESC/C=C/C(=[N+]=[N-])C(=O)OC
InChIInChI=1S/C6H8N2O2/c1-3-4-5(8-7)6(9)10-2/h3-4H,1-2H3/b4-3+
InChIKeyDTNRKKVDTIPZFT-ONEGZZNKSA-N
XLogP0.41
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.41
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 methyl (E)-2-diazopent-3-enoate?
The IUPAC name of methyl (E)-2-diazopent-3-enoate (CID 86761092) is methyl (E)-2-diazopent-3-enoate.
What is the SMILES notation for methyl (E)-2-diazopent-3-enoate?
The canonical SMILES for methyl (E)-2-diazopent-3-enoate is C/C=C/C(=[N+]=[N-])C(=O)OC.
What is the InChIKey of methyl (E)-2-diazopent-3-enoate?
The InChIKey is DTNRKKVDTIPZFT-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-3-4-5(8-7)6(9)10-2/h3-4H,1-2H3/b4-3+.
What are the key properties of methyl (E)-2-diazopent-3-enoate?
methyl (E)-2-diazopent-3-enoate has a molecular weight of 140.14 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-diazopent-3-enoate is sourced from PubChem (CID 86761092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).