methoxy-oxido-propan-2-yliminoazanium

C4H10N2O2 — CID 23264256

IUPACmethoxy-oxido-propan-2-yliminoazanium
SMILESCO/[N+]([O-])=N/C(C)C
InChIInChI=1S/C4H10N2O2/c1-4(2)5-6(7)8-3/h4H,1-3H3/b6-5+
InChIKeyRKUHKYJAURVZAX-AATRIKPKSA-N
MW118.14 g/mol
LogP0.92
Rot. Bonds2

About methoxy-oxido-propan-2-yliminoazanium

methoxy-oxido-propan-2-yliminoazanium (PubChem CID 23264256) has the molecular formula C4H10N2O2 and a molecular weight of 118.14 g/mol. Its IUPAC name is methoxy-oxido-propan-2-yliminoazanium.

Molecular Properties

Compound Namemethoxy-oxido-propan-2-yliminoazanium
PubChem CID23264256
Molecular FormulaC4H10N2O2
Molecular Weight118.14 g/mol
Exact Mass118.07
IUPAC Namemethoxy-oxido-propan-2-yliminoazanium
SMILESCO/[N+]([O-])=N/C(C)C
InChIInChI=1S/C4H10N2O2/c1-4(2)5-6(7)8-3/h4H,1-3H3/b6-5+
InChIKeyRKUHKYJAURVZAX-AATRIKPKSA-N
XLogP0.92
TPSA47.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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 methoxy-oxido-propan-2-yliminoazanium?
The IUPAC name of methoxy-oxido-propan-2-yliminoazanium (CID 23264256) is methoxy-oxido-propan-2-yliminoazanium.
What is the SMILES notation for methoxy-oxido-propan-2-yliminoazanium?
The canonical SMILES for methoxy-oxido-propan-2-yliminoazanium is CO/[N+]([O-])=N/C(C)C.
What is the InChIKey of methoxy-oxido-propan-2-yliminoazanium?
The InChIKey is RKUHKYJAURVZAX-AATRIKPKSA-N. The full InChI is InChI=1S/C4H10N2O2/c1-4(2)5-6(7)8-3/h4H,1-3H3/b6-5+.
What are the key properties of methoxy-oxido-propan-2-yliminoazanium?
methoxy-oxido-propan-2-yliminoazanium has a molecular weight of 118.14 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-oxido-propan-2-yliminoazanium is sourced from PubChem (CID 23264256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).