4-[3-(2-pyridin-2-ylethynyl)cyclohex-2-en-1-yl]morpholine

C17H20N2O — CID 71454503

IUPAC4-[3-(2-pyridin-2-ylethynyl)cyclohex-2-en-1-yl]morpholine
SMILESC(#Cc1ccccn1)C1=CC(N2CCOCC2)CCC1
InChIInChI=1S/C17H20N2O/c1-2-9-18-16(5-1)8-7-15-4-3-6-17(14-15)19-10-12-20-13-11-19/h1-2,5,9,14,17H,3-4,6,10-13H2
InChIKeyMCJNQTKTSWIMGK-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.24
Rot. Bonds1

About 4-[3-(2-pyridin-2-ylethynyl)cyclohex-2-en-1-yl]morpholine

4-[3-(2-pyridin-2-ylethynyl)cyclohex-2-en-1-yl]morpholine (PubChem CID 71454503) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[3-(2-pyridin-2-ylethynyl)cyclohex-2-en-1-yl]morpholine.

Molecular Properties

Compound Name4-[3-(2-pyridin-2-ylethynyl)cyclohex-2-en-1-yl]morpholine
PubChem CID71454503
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-[3-(2-pyridin-2-ylethynyl)cyclohex-2-en-1-yl]morpholine
SMILESC(#Cc1ccccn1)C1=CC(N2CCOCC2)CCC1
InChIInChI=1S/C17H20N2O/c1-2-9-18-16(5-1)8-7-15-4-3-6-17(14-15)19-10-12-20-13-11-19/h1-2,5,9,14,17H,3-4,6,10-13H2
InChIKeyMCJNQTKTSWIMGK-UHFFFAOYSA-N
XLogP2.24
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-[3-(2-pyridin-2-ylethynyl)cyclohex-2-en-1-yl]morpholine?
The IUPAC name of 4-[3-(2-pyridin-2-ylethynyl)cyclohex-2-en-1-yl]morpholine (CID 71454503) is 4-[3-(2-pyridin-2-ylethynyl)cyclohex-2-en-1-yl]morpholine.
What is the SMILES notation for 4-[3-(2-pyridin-2-ylethynyl)cyclohex-2-en-1-yl]morpholine?
The canonical SMILES for 4-[3-(2-pyridin-2-ylethynyl)cyclohex-2-en-1-yl]morpholine is C(#Cc1ccccn1)C1=CC(N2CCOCC2)CCC1.
What is the InChIKey of 4-[3-(2-pyridin-2-ylethynyl)cyclohex-2-en-1-yl]morpholine?
The InChIKey is MCJNQTKTSWIMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-9-18-16(5-1)8-7-15-4-3-6-17(14-15)19-10-12-20-13-11-19/h1-2,5,9,14,17H,3-4,6,10-13H2.
What are the key properties of 4-[3-(2-pyridin-2-ylethynyl)cyclohex-2-en-1-yl]morpholine?
4-[3-(2-pyridin-2-ylethynyl)cyclohex-2-en-1-yl]morpholine has a molecular weight of 268.36 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-pyridin-2-ylethynyl)cyclohex-2-en-1-yl]morpholine is sourced from PubChem (CID 71454503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).