2-ethynylmorpholine

C6H9NO — CID 21460082

IUPAC2-ethynylmorpholine
SMILESC#CC1CNCCO1
InChIInChI=1S/C6H9NO/c1-2-6-5-7-3-4-8-6/h1,6-7H,3-5H2
InChIKeyUHWZKSGXBBYDCB-UHFFFAOYSA-N
MW111.14 g/mol
LogP-0.39
Rot. Bonds

About 2-ethynylmorpholine

2-ethynylmorpholine (PubChem CID 21460082) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 2-ethynylmorpholine.

Molecular Properties

Compound Name2-ethynylmorpholine
PubChem CID21460082
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name2-ethynylmorpholine
SMILESC#CC1CNCCO1
InChIInChI=1S/C6H9NO/c1-2-6-5-7-3-4-8-6/h1,6-7H,3-5H2
InChIKeyUHWZKSGXBBYDCB-UHFFFAOYSA-N
XLogP-0.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethynylmorpholine?
The IUPAC name of 2-ethynylmorpholine (CID 21460082) is 2-ethynylmorpholine.
What is the SMILES notation for 2-ethynylmorpholine?
The canonical SMILES for 2-ethynylmorpholine is C#CC1CNCCO1.
What is the InChIKey of 2-ethynylmorpholine?
The InChIKey is UHWZKSGXBBYDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-2-6-5-7-3-4-8-6/h1,6-7H,3-5H2.
What are the key properties of 2-ethynylmorpholine?
2-ethynylmorpholine has a molecular weight of 111.14 g/mol, XLogP of -0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynylmorpholine is sourced from PubChem (CID 21460082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).