N-ethylethanimine oxide

C4H9NO — CID 11506443

IUPACN-ethylethanimine oxide
SMILESC/C=[N+](/[O-])CC
InChIInChI=1S/C4H9NO/c1-3-5(6)4-2/h3H,4H2,1-2H3/b5-3+
InChIKeyGBMIPYGHTZRCRH-HWKANZROSA-N
MW87.12 g/mol
LogP0.61
Rot. Bonds1

About N-ethylethanimine oxide

N-ethylethanimine oxide (PubChem CID 11506443) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is N-ethylethanimine oxide.

Molecular Properties

Compound NameN-ethylethanimine oxide
PubChem CID11506443
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC NameN-ethylethanimine oxide
SMILESC/C=[N+](/[O-])CC
InChIInChI=1S/C4H9NO/c1-3-5(6)4-2/h3H,4H2,1-2H3/b5-3+
InChIKeyGBMIPYGHTZRCRH-HWKANZROSA-N
XLogP0.61
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethylethanimine oxide?
The IUPAC name of N-ethylethanimine oxide (CID 11506443) is N-ethylethanimine oxide.
What is the SMILES notation for N-ethylethanimine oxide?
The canonical SMILES for N-ethylethanimine oxide is C/C=[N+](/[O-])CC.
What is the InChIKey of N-ethylethanimine oxide?
The InChIKey is GBMIPYGHTZRCRH-HWKANZROSA-N. The full InChI is InChI=1S/C4H9NO/c1-3-5(6)4-2/h3H,4H2,1-2H3/b5-3+.
What are the key properties of N-ethylethanimine oxide?
N-ethylethanimine oxide has a molecular weight of 87.12 g/mol, XLogP of 0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanimine oxide is sourced from PubChem (CID 11506443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).