2-hex-1-en-3-ylmorpholine

C10H19NO — CID 68590103

IUPAC2-hex-1-en-3-ylmorpholine
SMILESC=CC(CCC)C1CNCCO1
InChIInChI=1S/C10H19NO/c1-3-5-9(4-2)10-8-11-6-7-12-10/h4,9-11H,2-3,5-8H2,1H3
InChIKeyIDDBFLUMWPWCJV-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.58
Rot. Bonds4

About 2-hex-1-en-3-ylmorpholine

2-hex-1-en-3-ylmorpholine (PubChem CID 68590103) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-hex-1-en-3-ylmorpholine.

Molecular Properties

Compound Name2-hex-1-en-3-ylmorpholine
PubChem CID68590103
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-hex-1-en-3-ylmorpholine
SMILESC=CC(CCC)C1CNCCO1
InChIInChI=1S/C10H19NO/c1-3-5-9(4-2)10-8-11-6-7-12-10/h4,9-11H,2-3,5-8H2,1H3
InChIKeyIDDBFLUMWPWCJV-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.58
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-hex-1-en-3-ylmorpholine?
The IUPAC name of 2-hex-1-en-3-ylmorpholine (CID 68590103) is 2-hex-1-en-3-ylmorpholine.
What is the SMILES notation for 2-hex-1-en-3-ylmorpholine?
The canonical SMILES for 2-hex-1-en-3-ylmorpholine is C=CC(CCC)C1CNCCO1.
What is the InChIKey of 2-hex-1-en-3-ylmorpholine?
The InChIKey is IDDBFLUMWPWCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-5-9(4-2)10-8-11-6-7-12-10/h4,9-11H,2-3,5-8H2,1H3.
What are the key properties of 2-hex-1-en-3-ylmorpholine?
2-hex-1-en-3-ylmorpholine has a molecular weight of 169.27 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-1-en-3-ylmorpholine is sourced from PubChem (CID 68590103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).