2-but-1-enylmorpholine

C8H15NO — CID 68590433

IUPAC2-but-1-enylmorpholine
SMILESCCC=CC1CNCCO1
InChIInChI=1S/C8H15NO/c1-2-3-4-8-7-9-5-6-10-8/h3-4,8-9H,2,5-7H2,1H3
InChIKeyWXYLGEQPDRTLOG-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.94
Rot. Bonds2

About 2-but-1-enylmorpholine

2-but-1-enylmorpholine (PubChem CID 68590433) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-but-1-enylmorpholine.

Molecular Properties

Compound Name2-but-1-enylmorpholine
PubChem CID68590433
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-but-1-enylmorpholine
SMILESCCC=CC1CNCCO1
InChIInChI=1S/C8H15NO/c1-2-3-4-8-7-9-5-6-10-8/h3-4,8-9H,2,5-7H2,1H3
InChIKeyWXYLGEQPDRTLOG-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
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-1-enylmorpholine?
The IUPAC name of 2-but-1-enylmorpholine (CID 68590433) is 2-but-1-enylmorpholine.
What is the SMILES notation for 2-but-1-enylmorpholine?
The canonical SMILES for 2-but-1-enylmorpholine is CCC=CC1CNCCO1.
What is the InChIKey of 2-but-1-enylmorpholine?
The InChIKey is WXYLGEQPDRTLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-3-4-8-7-9-5-6-10-8/h3-4,8-9H,2,5-7H2,1H3.
What are the key properties of 2-but-1-enylmorpholine?
2-but-1-enylmorpholine has a molecular weight of 141.21 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-enylmorpholine is sourced from PubChem (CID 68590433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).