2-oxopropyliminoazanide

C3H5N2O- — CID 59937174

IUPAC2-oxopropyliminoazanide
SMILESCC(=O)CN=[N-]
InChIInChI=1S/C3H5N2O/c1-3(6)2-5-4/h2H2,1H3/q-1
InChIKeyPNWVJZQLASADGQ-UHFFFAOYSA-N
MW85.09 g/mol
LogP0.60
Rot. Bonds2

About 2-oxopropyliminoazanide

2-oxopropyliminoazanide (PubChem CID 59937174) has the molecular formula C3H5N2O- and a molecular weight of 85.09 g/mol. Its IUPAC name is 2-oxopropyliminoazanide.

Molecular Properties

Compound Name2-oxopropyliminoazanide
PubChem CID59937174
Molecular FormulaC3H5N2O-
Molecular Weight85.09 g/mol
Exact Mass85.04
IUPAC Name2-oxopropyliminoazanide
SMILESCC(=O)CN=[N-]
InChIInChI=1S/C3H5N2O/c1-3(6)2-5-4/h2H2,1H3/q-1
InChIKeyPNWVJZQLASADGQ-UHFFFAOYSA-N
XLogP0.60
TPSA51.73 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.09
LogP ≤ 50.60
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 2-oxopropyliminoazanide?
The IUPAC name of 2-oxopropyliminoazanide (CID 59937174) is 2-oxopropyliminoazanide.
What is the SMILES notation for 2-oxopropyliminoazanide?
The canonical SMILES for 2-oxopropyliminoazanide is CC(=O)CN=[N-].
What is the InChIKey of 2-oxopropyliminoazanide?
The InChIKey is PNWVJZQLASADGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N2O/c1-3(6)2-5-4/h2H2,1H3/q-1.
What are the key properties of 2-oxopropyliminoazanide?
2-oxopropyliminoazanide has a molecular weight of 85.09 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopropyliminoazanide is sourced from PubChem (CID 59937174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).