4-pyran-2-ylidenemorpholin-4-ium

C9H12NO2+ — CID 15357050

IUPAC4-pyran-2-ylidenemorpholin-4-ium
SMILESc1ccc(=[N+]2CCOCC2)oc1
InChIInChI=1S/C9H12NO2/c1-2-6-12-9(3-1)10-4-7-11-8-5-10/h1-3,6H,4-5,7-8H2/q+1
InChIKeyQXPZZCCBSRWAMT-UHFFFAOYSA-N
MW166.20 g/mol
LogP0.08
Rot. Bonds

About 4-pyran-2-ylidenemorpholin-4-ium

4-pyran-2-ylidenemorpholin-4-ium (PubChem CID 15357050) has the molecular formula C9H12NO2+ and a molecular weight of 166.20 g/mol. Its IUPAC name is 4-pyran-2-ylidenemorpholin-4-ium.

Molecular Properties

Compound Name4-pyran-2-ylidenemorpholin-4-ium
PubChem CID15357050
Molecular FormulaC9H12NO2+
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC Name4-pyran-2-ylidenemorpholin-4-ium
SMILESc1ccc(=[N+]2CCOCC2)oc1
InChIInChI=1S/C9H12NO2/c1-2-6-12-9(3-1)10-4-7-11-8-5-10/h1-3,6H,4-5,7-8H2/q+1
InChIKeyQXPZZCCBSRWAMT-UHFFFAOYSA-N
XLogP0.08
TPSA25.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-pyran-2-ylidenemorpholin-4-ium?
The IUPAC name of 4-pyran-2-ylidenemorpholin-4-ium (CID 15357050) is 4-pyran-2-ylidenemorpholin-4-ium.
What is the SMILES notation for 4-pyran-2-ylidenemorpholin-4-ium?
The canonical SMILES for 4-pyran-2-ylidenemorpholin-4-ium is c1ccc(=[N+]2CCOCC2)oc1.
What is the InChIKey of 4-pyran-2-ylidenemorpholin-4-ium?
The InChIKey is QXPZZCCBSRWAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12NO2/c1-2-6-12-9(3-1)10-4-7-11-8-5-10/h1-3,6H,4-5,7-8H2/q+1.
What are the key properties of 4-pyran-2-ylidenemorpholin-4-ium?
4-pyran-2-ylidenemorpholin-4-ium has a molecular weight of 166.20 g/mol, XLogP of 0.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyran-2-ylidenemorpholin-4-ium is sourced from PubChem (CID 15357050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).