4-ethyliminooxolan-2-one

C6H9NO2 — CID 91255105

IUPAC4-ethyliminooxolan-2-one
SMILESCC/N=C1\COC(=O)C1
InChIInChI=1S/C6H9NO2/c1-2-7-5-3-6(8)9-4-5/h2-4H2,1H3/b7-5-
InChIKeyJJQVELFZNYUFSB-ALCCZGGFSA-N
MW127.14 g/mol
LogP0.39
Rot. Bonds1

About 4-ethyliminooxolan-2-one

4-ethyliminooxolan-2-one (PubChem CID 91255105) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 4-ethyliminooxolan-2-one.

Molecular Properties

Compound Name4-ethyliminooxolan-2-one
PubChem CID91255105
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name4-ethyliminooxolan-2-one
SMILESCC/N=C1\COC(=O)C1
InChIInChI=1S/C6H9NO2/c1-2-7-5-3-6(8)9-4-5/h2-4H2,1H3/b7-5-
InChIKeyJJQVELFZNYUFSB-ALCCZGGFSA-N
XLogP0.39
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyliminooxolan-2-one?
The IUPAC name of 4-ethyliminooxolan-2-one (CID 91255105) is 4-ethyliminooxolan-2-one.
What is the SMILES notation for 4-ethyliminooxolan-2-one?
The canonical SMILES for 4-ethyliminooxolan-2-one is CC/N=C1\COC(=O)C1.
What is the InChIKey of 4-ethyliminooxolan-2-one?
The InChIKey is JJQVELFZNYUFSB-ALCCZGGFSA-N. The full InChI is InChI=1S/C6H9NO2/c1-2-7-5-3-6(8)9-4-5/h2-4H2,1H3/b7-5-.
What are the key properties of 4-ethyliminooxolan-2-one?
4-ethyliminooxolan-2-one has a molecular weight of 127.14 g/mol, XLogP of 0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyliminooxolan-2-one is sourced from PubChem (CID 91255105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).