4-cyclohexyliminooxolan-2-one

C10H15NO2 — CID 91338453

IUPAC4-cyclohexyliminooxolan-2-one
SMILESO=C1C/C(=N/C2CCCCC2)CO1
InChIInChI=1S/C10H15NO2/c12-10-6-9(7-13-10)11-8-4-2-1-3-5-8/h8H,1-7H2/b11-9-
InChIKeyGAVGWDBDFAXLGF-LUAWRHEFSA-N
MW181.23 g/mol
LogP1.71
Rot. Bonds1

About 4-cyclohexyliminooxolan-2-one

4-cyclohexyliminooxolan-2-one (PubChem CID 91338453) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 4-cyclohexyliminooxolan-2-one.

Molecular Properties

Compound Name4-cyclohexyliminooxolan-2-one
PubChem CID91338453
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name4-cyclohexyliminooxolan-2-one
SMILESO=C1C/C(=N/C2CCCCC2)CO1
InChIInChI=1S/C10H15NO2/c12-10-6-9(7-13-10)11-8-4-2-1-3-5-8/h8H,1-7H2/b11-9-
InChIKeyGAVGWDBDFAXLGF-LUAWRHEFSA-N
XLogP1.71
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Butyl 3-cyclohexyliminobutanoate
CID 19796781
Ethyl 3-cyclohexyliminobutanoate
CID 19796784
Pentyl 3-cyclohexyliminobutanoate
CID 19796796
Propyl 3-cyclohexyliminobutanoate
CID 19796797
Diethyl 2-cyclohexyliminobutanedioate
CID 54041169
4-Butyliminooxolan-2-one
CID 90970183

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyliminooxolan-2-one?
The IUPAC name of 4-cyclohexyliminooxolan-2-one (CID 91338453) is 4-cyclohexyliminooxolan-2-one.
What is the SMILES notation for 4-cyclohexyliminooxolan-2-one?
The canonical SMILES for 4-cyclohexyliminooxolan-2-one is O=C1C/C(=N/C2CCCCC2)CO1.
What is the InChIKey of 4-cyclohexyliminooxolan-2-one?
The InChIKey is GAVGWDBDFAXLGF-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H15NO2/c12-10-6-9(7-13-10)11-8-4-2-1-3-5-8/h8H,1-7H2/b11-9-.
What are the key properties of 4-cyclohexyliminooxolan-2-one?
4-cyclohexyliminooxolan-2-one has a molecular weight of 181.23 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyliminooxolan-2-one is sourced from PubChem (CID 91338453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).