2-oct-3-en-4-ylmorpholine

C12H23NO — CID 68588529

IUPAC2-oct-3-en-4-ylmorpholine
SMILESCCC=C(CCCC)C1CNCCO1
InChIInChI=1S/C12H23NO/c1-3-5-7-11(6-4-2)12-10-13-8-9-14-12/h6,12-13H,3-5,7-10H2,1-2H3
InChIKeyHPRLPIXYEUMZBX-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds5

About 2-oct-3-en-4-ylmorpholine

2-oct-3-en-4-ylmorpholine (PubChem CID 68588529) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-oct-3-en-4-ylmorpholine.

Molecular Properties

Compound Name2-oct-3-en-4-ylmorpholine
PubChem CID68588529
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-oct-3-en-4-ylmorpholine
SMILESCCC=C(CCCC)C1CNCCO1
InChIInChI=1S/C12H23NO/c1-3-5-7-11(6-4-2)12-10-13-8-9-14-12/h6,12-13H,3-5,7-10H2,1-2H3
InChIKeyHPRLPIXYEUMZBX-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
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-oct-3-en-4-ylmorpholine?
The IUPAC name of 2-oct-3-en-4-ylmorpholine (CID 68588529) is 2-oct-3-en-4-ylmorpholine.
What is the SMILES notation for 2-oct-3-en-4-ylmorpholine?
The canonical SMILES for 2-oct-3-en-4-ylmorpholine is CCC=C(CCCC)C1CNCCO1.
What is the InChIKey of 2-oct-3-en-4-ylmorpholine?
The InChIKey is HPRLPIXYEUMZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-5-7-11(6-4-2)12-10-13-8-9-14-12/h6,12-13H,3-5,7-10H2,1-2H3.
What are the key properties of 2-oct-3-en-4-ylmorpholine?
2-oct-3-en-4-ylmorpholine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oct-3-en-4-ylmorpholine is sourced from PubChem (CID 68588529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).