5-methyloxolane-2,3-diimine

C5H8N2O — CID 70420442

IUPAC5-methyloxolane-2,3-diimine
SMILES[H]/N=C1\OC(C)C\C1=N/[H]
InChIInChI=1S/C5H8N2O/c1-3-2-4(6)5(7)8-3/h3,6-7H,2H2,1H3/b6-4+,7-5-
InChIKeyLONRYMMDHKGSGA-GUBXDBFYSA-N
MW112.13 g/mol
LogP0.79
Rot. Bonds

About 5-methyloxolane-2,3-diimine

5-methyloxolane-2,3-diimine (PubChem CID 70420442) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 5-methyloxolane-2,3-diimine.

Molecular Properties

Compound Name5-methyloxolane-2,3-diimine
PubChem CID70420442
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name5-methyloxolane-2,3-diimine
SMILES[H]/N=C1\OC(C)C\C1=N/[H]
InChIInChI=1S/C5H8N2O/c1-3-2-4(6)5(7)8-3/h3,6-7H,2H2,1H3/b6-4+,7-5-
InChIKeyLONRYMMDHKGSGA-GUBXDBFYSA-N
XLogP0.79
TPSA56.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.79
H-Bond Donors ≤ 52
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 5-methyloxolane-2,3-diimine?
The IUPAC name of 5-methyloxolane-2,3-diimine (CID 70420442) is 5-methyloxolane-2,3-diimine.
What is the SMILES notation for 5-methyloxolane-2,3-diimine?
The canonical SMILES for 5-methyloxolane-2,3-diimine is [H]/N=C1\OC(C)C\C1=N/[H].
What is the InChIKey of 5-methyloxolane-2,3-diimine?
The InChIKey is LONRYMMDHKGSGA-GUBXDBFYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-3-2-4(6)5(7)8-3/h3,6-7H,2H2,1H3/b6-4+,7-5-.
What are the key properties of 5-methyloxolane-2,3-diimine?
5-methyloxolane-2,3-diimine has a molecular weight of 112.13 g/mol, XLogP of 0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyloxolane-2,3-diimine is sourced from PubChem (CID 70420442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).