ethoxycarbonyliminoazanide

C3H5N2O2- — CID 91192111

IUPACethoxycarbonyliminoazanide
SMILESCCOC(=O)N=[N-]
InChIInChI=1S/C3H5N2O2/c1-2-7-3(6)5-4/h2H2,1H3/q-1
InChIKeyKPZUJWHLHOUFCH-UHFFFAOYSA-N
MW101.08 g/mol
LogP1.16
Rot. Bonds1

About ethoxycarbonyliminoazanide

ethoxycarbonyliminoazanide (PubChem CID 91192111) has the molecular formula C3H5N2O2- and a molecular weight of 101.08 g/mol. Its IUPAC name is ethoxycarbonyliminoazanide.

Molecular Properties

Compound Nameethoxycarbonyliminoazanide
PubChem CID91192111
Molecular FormulaC3H5N2O2-
Molecular Weight101.08 g/mol
Exact Mass101.04
IUPAC Nameethoxycarbonyliminoazanide
SMILESCCOC(=O)N=[N-]
InChIInChI=1S/C3H5N2O2/c1-2-7-3(6)5-4/h2H2,1H3/q-1
InChIKeyKPZUJWHLHOUFCH-UHFFFAOYSA-N
XLogP1.16
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.08
LogP ≤ 51.16
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'}

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Frequently Asked Questions

What is the IUPAC name of ethoxycarbonyliminoazanide?
The IUPAC name of ethoxycarbonyliminoazanide (CID 91192111) is ethoxycarbonyliminoazanide.
What is the SMILES notation for ethoxycarbonyliminoazanide?
The canonical SMILES for ethoxycarbonyliminoazanide is CCOC(=O)N=[N-].
What is the InChIKey of ethoxycarbonyliminoazanide?
The InChIKey is KPZUJWHLHOUFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N2O2/c1-2-7-3(6)5-4/h2H2,1H3/q-1.
What are the key properties of ethoxycarbonyliminoazanide?
ethoxycarbonyliminoazanide has a molecular weight of 101.08 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxycarbonyliminoazanide is sourced from PubChem (CID 91192111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).