4-butyliminooxolan-2-one

C8H13NO2 — CID 90970183

IUPAC4-butyliminooxolan-2-one
SMILESCCCC/N=C1\COC(=O)C1
InChIInChI=1S/C8H13NO2/c1-2-3-4-9-7-5-8(10)11-6-7/h2-6H2,1H3/b9-7-
InChIKeyWZGXLJMIOIHZEO-CLFYSBASSA-N
MW155.20 g/mol
LogP1.17
Rot. Bonds3

About 4-butyliminooxolan-2-one

4-butyliminooxolan-2-one (PubChem CID 90970183) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-butyliminooxolan-2-one.

Molecular Properties

Compound Name4-butyliminooxolan-2-one
PubChem CID90970183
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4-butyliminooxolan-2-one
SMILESCCCC/N=C1\COC(=O)C1
InChIInChI=1S/C8H13NO2/c1-2-3-4-9-7-5-8(10)11-6-7/h2-6H2,1H3/b9-7-
InChIKeyWZGXLJMIOIHZEO-CLFYSBASSA-N
XLogP1.17
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-butyliminooxolan-2-one?
The IUPAC name of 4-butyliminooxolan-2-one (CID 90970183) is 4-butyliminooxolan-2-one.
What is the SMILES notation for 4-butyliminooxolan-2-one?
The canonical SMILES for 4-butyliminooxolan-2-one is CCCC/N=C1\COC(=O)C1.
What is the InChIKey of 4-butyliminooxolan-2-one?
The InChIKey is WZGXLJMIOIHZEO-CLFYSBASSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-3-4-9-7-5-8(10)11-6-7/h2-6H2,1H3/b9-7-.
What are the key properties of 4-butyliminooxolan-2-one?
4-butyliminooxolan-2-one has a molecular weight of 155.20 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyliminooxolan-2-one is sourced from PubChem (CID 90970183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).