3-but-3-enylmorpholine

C8H15NO — CID 131027298

IUPAC3-but-3-enylmorpholine
SMILESC=CCCC1COCCN1
InChIInChI=1S/C8H15NO/c1-2-3-4-8-7-10-6-5-9-8/h2,8-9H,1,3-7H2
InChIKeyDPBYAACGHIMCSA-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.94
Rot. Bonds3

About 3-but-3-enylmorpholine

3-but-3-enylmorpholine (PubChem CID 131027298) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-but-3-enylmorpholine.

Molecular Properties

Compound Name3-but-3-enylmorpholine
PubChem CID131027298
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-but-3-enylmorpholine
SMILESC=CCCC1COCCN1
InChIInChI=1S/C8H15NO/c1-2-3-4-8-7-10-6-5-9-8/h2,8-9H,1,3-7H2
InChIKeyDPBYAACGHIMCSA-UHFFFAOYSA-N
XLogP0.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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'}

Analyze 3-but-3-enylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-but-3-enylmorpholine?
The IUPAC name of 3-but-3-enylmorpholine (CID 131027298) is 3-but-3-enylmorpholine.
What is the SMILES notation for 3-but-3-enylmorpholine?
The canonical SMILES for 3-but-3-enylmorpholine is C=CCCC1COCCN1.
What is the InChIKey of 3-but-3-enylmorpholine?
The InChIKey is DPBYAACGHIMCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-3-4-8-7-10-6-5-9-8/h2,8-9H,1,3-7H2.
What are the key properties of 3-but-3-enylmorpholine?
3-but-3-enylmorpholine has a molecular weight of 141.21 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enylmorpholine is sourced from PubChem (CID 131027298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).