2-ethenyl-6-methanidyl-4-methylmorpholine

C8H14NO- — CID 91424477

IUPAC2-ethenyl-6-methanidyl-4-methylmorpholine
SMILESC=CC1CN(C)CC([CH2-])O1
InChIInChI=1S/C8H14NO/c1-4-8-6-9(3)5-7(2)10-8/h4,7-8H,1-2,5-6H2,3H3/q-1
InChIKeyZFVHJHJMOYQLDX-UHFFFAOYSA-N
MW140.21 g/mol
LogP0.71
Rot. Bonds1

About 2-ethenyl-6-methanidyl-4-methylmorpholine

2-ethenyl-6-methanidyl-4-methylmorpholine (PubChem CID 91424477) has the molecular formula C8H14NO- and a molecular weight of 140.21 g/mol. Its IUPAC name is 2-ethenyl-6-methanidyl-4-methylmorpholine.

Molecular Properties

Compound Name2-ethenyl-6-methanidyl-4-methylmorpholine
PubChem CID91424477
Molecular FormulaC8H14NO-
Molecular Weight140.21 g/mol
Exact Mass140.11
IUPAC Name2-ethenyl-6-methanidyl-4-methylmorpholine
SMILESC=CC1CN(C)CC([CH2-])O1
InChIInChI=1S/C8H14NO/c1-4-8-6-9(3)5-7(2)10-8/h4,7-8H,1-2,5-6H2,3H3/q-1
InChIKeyZFVHJHJMOYQLDX-UHFFFAOYSA-N
XLogP0.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-6-methanidyl-4-methylmorpholine?
The IUPAC name of 2-ethenyl-6-methanidyl-4-methylmorpholine (CID 91424477) is 2-ethenyl-6-methanidyl-4-methylmorpholine.
What is the SMILES notation for 2-ethenyl-6-methanidyl-4-methylmorpholine?
The canonical SMILES for 2-ethenyl-6-methanidyl-4-methylmorpholine is C=CC1CN(C)CC([CH2-])O1.
What is the InChIKey of 2-ethenyl-6-methanidyl-4-methylmorpholine?
The InChIKey is ZFVHJHJMOYQLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NO/c1-4-8-6-9(3)5-7(2)10-8/h4,7-8H,1-2,5-6H2,3H3/q-1.
What are the key properties of 2-ethenyl-6-methanidyl-4-methylmorpholine?
2-ethenyl-6-methanidyl-4-methylmorpholine has a molecular weight of 140.21 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-6-methanidyl-4-methylmorpholine is sourced from PubChem (CID 91424477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).