ethyl 3-amino-3-hydrazinylidenepropanoate

C5H11N3O2 — CID 4088777

IUPACethyl 3-amino-3-hydrazinylidenepropanoate
SMILESCCOC(=O)CC(N)=NN
InChIInChI=1S/C5H11N3O2/c1-2-10-5(9)3-4(6)8-7/h2-3,7H2,1H3,(H2,6,8)
InChIKeyFTLCBIIGDQBECJ-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.83
Rot. Bonds3

About ethyl 3-amino-3-hydrazinylidenepropanoate

ethyl 3-amino-3-hydrazinylidenepropanoate (PubChem CID 4088777) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is ethyl 3-amino-3-hydrazinylidenepropanoate.

Molecular Properties

Compound Nameethyl 3-amino-3-hydrazinylidenepropanoate
PubChem CID4088777
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC Nameethyl 3-amino-3-hydrazinylidenepropanoate
SMILESCCOC(=O)CC(N)=NN
InChIInChI=1S/C5H11N3O2/c1-2-10-5(9)3-4(6)8-7/h2-3,7H2,1H3,(H2,6,8)
InChIKeyFTLCBIIGDQBECJ-UHFFFAOYSA-N
XLogP-0.83
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-3-hydrazinylidenepropanoate?
The IUPAC name of ethyl 3-amino-3-hydrazinylidenepropanoate (CID 4088777) is ethyl 3-amino-3-hydrazinylidenepropanoate.
What is the SMILES notation for ethyl 3-amino-3-hydrazinylidenepropanoate?
The canonical SMILES for ethyl 3-amino-3-hydrazinylidenepropanoate is CCOC(=O)CC(N)=NN.
What is the InChIKey of ethyl 3-amino-3-hydrazinylidenepropanoate?
The InChIKey is FTLCBIIGDQBECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2/c1-2-10-5(9)3-4(6)8-7/h2-3,7H2,1H3,(H2,6,8).
What are the key properties of ethyl 3-amino-3-hydrazinylidenepropanoate?
ethyl 3-amino-3-hydrazinylidenepropanoate has a molecular weight of 145.16 g/mol, XLogP of -0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-3-hydrazinylidenepropanoate is sourced from PubChem (CID 4088777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).