ethyl 2-(aminodiazenyl)prop-2-enoate

C5H9N3O2 — CID 135041077

IUPACethyl 2-(aminodiazenyl)prop-2-enoate
SMILESC=C(/N=N/N)C(=O)OCC
InChIInChI=1S/C5H9N3O2/c1-3-10-5(9)4(2)7-8-6/h2-3H2,1H3,(H2,6,7)
InChIKeyAIHVBUYXEVAIOO-UHFFFAOYSA-N
MW143.15 g/mol
LogP0.39
Rot. Bonds3

About ethyl 2-(aminodiazenyl)prop-2-enoate

ethyl 2-(aminodiazenyl)prop-2-enoate (PubChem CID 135041077) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is ethyl 2-(aminodiazenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-(aminodiazenyl)prop-2-enoate
PubChem CID135041077
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Nameethyl 2-(aminodiazenyl)prop-2-enoate
SMILESC=C(/N=N/N)C(=O)OCC
InChIInChI=1S/C5H9N3O2/c1-3-10-5(9)4(2)7-8-6/h2-3H2,1H3,(H2,6,7)
InChIKeyAIHVBUYXEVAIOO-UHFFFAOYSA-N
XLogP0.39
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-methylprop-2-enoate
CID 130475774
diethyl 2-methylidenepropanedioate;mercury
CID 174815236
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;methane
CID 159235789
CID 159370772
CID 159370772
ethyl 2-methanidylprop-2-enoate;tungsten
CID 59905114
CID 175995571
CID 175995571
sodium;ethyl 2-methylprop-2-enoate;hydride
CID 173442862
sodium 3-ethoxy-3-oxoprop-1-en-2-olate
CID 87313714
ethyl carbamate;bis(2-methylprop-1-ene)
CID 159122273

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminodiazenyl)prop-2-enoate?
The IUPAC name of ethyl 2-(aminodiazenyl)prop-2-enoate (CID 135041077) is ethyl 2-(aminodiazenyl)prop-2-enoate.
What is the SMILES notation for ethyl 2-(aminodiazenyl)prop-2-enoate?
The canonical SMILES for ethyl 2-(aminodiazenyl)prop-2-enoate is C=C(/N=N/N)C(=O)OCC.
What is the InChIKey of ethyl 2-(aminodiazenyl)prop-2-enoate?
The InChIKey is AIHVBUYXEVAIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-3-10-5(9)4(2)7-8-6/h2-3H2,1H3,(H2,6,7).
What are the key properties of ethyl 2-(aminodiazenyl)prop-2-enoate?
ethyl 2-(aminodiazenyl)prop-2-enoate has a molecular weight of 143.15 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminodiazenyl)prop-2-enoate is sourced from PubChem (CID 135041077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).