2-but-3-en-2-ylmorpholine

C8H15NO — CID 68590860

IUPAC2-but-3-en-2-ylmorpholine
SMILESC=CC(C)C1CNCCO1
InChIInChI=1S/C8H15NO/c1-3-7(2)8-6-9-4-5-10-8/h3,7-9H,1,4-6H2,2H3
InChIKeyJRYAAMAIBGKXIK-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.80
Rot. Bonds2

About 2-but-3-en-2-ylmorpholine

2-but-3-en-2-ylmorpholine (PubChem CID 68590860) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-but-3-en-2-ylmorpholine.

Molecular Properties

Compound Name2-but-3-en-2-ylmorpholine
PubChem CID68590860
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-but-3-en-2-ylmorpholine
SMILESC=CC(C)C1CNCCO1
InChIInChI=1S/C8H15NO/c1-3-7(2)8-6-9-4-5-10-8/h3,7-9H,1,4-6H2,2H3
InChIKeyJRYAAMAIBGKXIK-UHFFFAOYSA-N
XLogP0.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
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-but-3-en-2-ylmorpholine?
The IUPAC name of 2-but-3-en-2-ylmorpholine (CID 68590860) is 2-but-3-en-2-ylmorpholine.
What is the SMILES notation for 2-but-3-en-2-ylmorpholine?
The canonical SMILES for 2-but-3-en-2-ylmorpholine is C=CC(C)C1CNCCO1.
What is the InChIKey of 2-but-3-en-2-ylmorpholine?
The InChIKey is JRYAAMAIBGKXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-7(2)8-6-9-4-5-10-8/h3,7-9H,1,4-6H2,2H3.
What are the key properties of 2-but-3-en-2-ylmorpholine?
2-but-3-en-2-ylmorpholine has a molecular weight of 141.21 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-en-2-ylmorpholine is sourced from PubChem (CID 68590860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).