2-pent-2-en-2-ylmorpholine

C9H17NO — CID 68590213

IUPAC2-pent-2-en-2-ylmorpholine
SMILESCCC=C(C)C1CNCCO1
InChIInChI=1S/C9H17NO/c1-3-4-8(2)9-7-10-5-6-11-9/h4,9-10H,3,5-7H2,1-2H3
InChIKeyFWWJMPAWPDXCNG-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.33
Rot. Bonds2

About 2-pent-2-en-2-ylmorpholine

2-pent-2-en-2-ylmorpholine (PubChem CID 68590213) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-pent-2-en-2-ylmorpholine.

Molecular Properties

Compound Name2-pent-2-en-2-ylmorpholine
PubChem CID68590213
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-pent-2-en-2-ylmorpholine
SMILESCCC=C(C)C1CNCCO1
InChIInChI=1S/C9H17NO/c1-3-4-8(2)9-7-10-5-6-11-9/h4,9-10H,3,5-7H2,1-2H3
InChIKeyFWWJMPAWPDXCNG-UHFFFAOYSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-pent-2-en-2-ylmorpholine 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 2-pent-2-en-2-ylmorpholine?
The IUPAC name of 2-pent-2-en-2-ylmorpholine (CID 68590213) is 2-pent-2-en-2-ylmorpholine.
What is the SMILES notation for 2-pent-2-en-2-ylmorpholine?
The canonical SMILES for 2-pent-2-en-2-ylmorpholine is CCC=C(C)C1CNCCO1.
What is the InChIKey of 2-pent-2-en-2-ylmorpholine?
The InChIKey is FWWJMPAWPDXCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-4-8(2)9-7-10-5-6-11-9/h4,9-10H,3,5-7H2,1-2H3.
What are the key properties of 2-pent-2-en-2-ylmorpholine?
2-pent-2-en-2-ylmorpholine has a molecular weight of 155.24 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-2-en-2-ylmorpholine is sourced from PubChem (CID 68590213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).