2-ethenyl-4-methylmorpholine

C7H13NO — CID 70667578

IUPAC2-ethenyl-4-methylmorpholine
SMILESC=CC1CN(C)CCO1
InChIInChI=1S/C7H13NO/c1-3-7-6-8(2)4-5-9-7/h3,7H,1,4-6H2,2H3
InChIKeyJGRWHHLNAUNLAU-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.50
Rot. Bonds1

About 2-ethenyl-4-methylmorpholine

2-ethenyl-4-methylmorpholine (PubChem CID 70667578) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-ethenyl-4-methylmorpholine.

Molecular Properties

Compound Name2-ethenyl-4-methylmorpholine
PubChem CID70667578
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-ethenyl-4-methylmorpholine
SMILESC=CC1CN(C)CCO1
InChIInChI=1S/C7H13NO/c1-3-7-6-8(2)4-5-9-7/h3,7H,1,4-6H2,2H3
InChIKeyJGRWHHLNAUNLAU-UHFFFAOYSA-N
XLogP0.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-methylmorpholine?
The IUPAC name of 2-ethenyl-4-methylmorpholine (CID 70667578) is 2-ethenyl-4-methylmorpholine.
What is the SMILES notation for 2-ethenyl-4-methylmorpholine?
The canonical SMILES for 2-ethenyl-4-methylmorpholine is C=CC1CN(C)CCO1.
What is the InChIKey of 2-ethenyl-4-methylmorpholine?
The InChIKey is JGRWHHLNAUNLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-7-6-8(2)4-5-9-7/h3,7H,1,4-6H2,2H3.
What are the key properties of 2-ethenyl-4-methylmorpholine?
2-ethenyl-4-methylmorpholine has a molecular weight of 127.19 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-methylmorpholine is sourced from PubChem (CID 70667578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).