N-methyloxan-4-imine

C6H11NO — CID 143572924

IUPACN-methyloxan-4-imine
SMILESCN=C1CCOCC1
InChIInChI=1S/C6H11NO/c1-7-6-2-4-8-5-3-6/h2-5H2,1H3
InChIKeyMNEFYGDRTOYQGR-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.87
Rot. Bonds

About N-methyloxan-4-imine

N-methyloxan-4-imine (PubChem CID 143572924) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is N-methyloxan-4-imine.

Molecular Properties

Compound NameN-methyloxan-4-imine
PubChem CID143572924
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC NameN-methyloxan-4-imine
SMILESCN=C1CCOCC1
InChIInChI=1S/C6H11NO/c1-7-6-2-4-8-5-3-6/h2-5H2,1H3
InChIKeyMNEFYGDRTOYQGR-UHFFFAOYSA-N
XLogP0.87
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-methyloxan-4-imine?
The IUPAC name of N-methyloxan-4-imine (CID 143572924) is N-methyloxan-4-imine.
What is the SMILES notation for N-methyloxan-4-imine?
The canonical SMILES for N-methyloxan-4-imine is CN=C1CCOCC1.
What is the InChIKey of N-methyloxan-4-imine?
The InChIKey is MNEFYGDRTOYQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-7-6-2-4-8-5-3-6/h2-5H2,1H3.
What are the key properties of N-methyloxan-4-imine?
N-methyloxan-4-imine has a molecular weight of 113.16 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyloxan-4-imine is sourced from PubChem (CID 143572924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).