5-methyloxan-3-imine

C6H11NO — CID 163984205

IUPAC5-methyloxan-3-imine
SMILES[H]/N=C1\COCC(C)C1
InChIInChI=1S/C6H11NO/c1-5-2-6(7)4-8-3-5/h5,7H,2-4H2,1H3/b7-6-
InChIKeyTUWDQNOUDZNPON-SREVYHEPSA-N
MW113.16 g/mol
LogP1.06
Rot. Bonds

About 5-methyloxan-3-imine

5-methyloxan-3-imine (PubChem CID 163984205) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 5-methyloxan-3-imine.

Molecular Properties

Compound Name5-methyloxan-3-imine
PubChem CID163984205
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name5-methyloxan-3-imine
SMILES[H]/N=C1\COCC(C)C1
InChIInChI=1S/C6H11NO/c1-5-2-6(7)4-8-3-5/h5,7H,2-4H2,1H3/b7-6-
InChIKeyTUWDQNOUDZNPON-SREVYHEPSA-N
XLogP1.06
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.06
H-Bond Donors ≤ 51
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 5-methyloxan-3-imine?
The IUPAC name of 5-methyloxan-3-imine (CID 163984205) is 5-methyloxan-3-imine.
What is the SMILES notation for 5-methyloxan-3-imine?
The canonical SMILES for 5-methyloxan-3-imine is [H]/N=C1\COCC(C)C1.
What is the InChIKey of 5-methyloxan-3-imine?
The InChIKey is TUWDQNOUDZNPON-SREVYHEPSA-N. The full InChI is InChI=1S/C6H11NO/c1-5-2-6(7)4-8-3-5/h5,7H,2-4H2,1H3/b7-6-.
What are the key properties of 5-methyloxan-3-imine?
5-methyloxan-3-imine has a molecular weight of 113.16 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyloxan-3-imine is sourced from PubChem (CID 163984205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).