4-(6-methylpyran-2-ylidene)morpholin-4-ium

C10H14NO2+ — CID 15395985

IUPAC4-(6-methylpyran-2-ylidene)morpholin-4-ium
SMILESCc1cccc(=[N+]2CCOCC2)o1
InChIInChI=1S/C10H14NO2/c1-9-3-2-4-10(13-9)11-5-7-12-8-6-11/h2-4H,5-8H2,1H3/q+1
InChIKeyCLDRMJAYWSLPKP-UHFFFAOYSA-N
MW180.23 g/mol
LogP0.39
Rot. Bonds

About 4-(6-methylpyran-2-ylidene)morpholin-4-ium

4-(6-methylpyran-2-ylidene)morpholin-4-ium (PubChem CID 15395985) has the molecular formula C10H14NO2+ and a molecular weight of 180.23 g/mol. Its IUPAC name is 4-(6-methylpyran-2-ylidene)morpholin-4-ium.

Molecular Properties

Compound Name4-(6-methylpyran-2-ylidene)morpholin-4-ium
PubChem CID15395985
Molecular FormulaC10H14NO2+
Molecular Weight180.23 g/mol
Exact Mass180.10
IUPAC Name4-(6-methylpyran-2-ylidene)morpholin-4-ium
SMILESCc1cccc(=[N+]2CCOCC2)o1
InChIInChI=1S/C10H14NO2/c1-9-3-2-4-10(13-9)11-5-7-12-8-6-11/h2-4H,5-8H2,1H3/q+1
InChIKeyCLDRMJAYWSLPKP-UHFFFAOYSA-N
XLogP0.39
TPSA25.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 50.39
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-(6-methylpyran-2-ylidene)morpholin-4-ium?
The IUPAC name of 4-(6-methylpyran-2-ylidene)morpholin-4-ium (CID 15395985) is 4-(6-methylpyran-2-ylidene)morpholin-4-ium.
What is the SMILES notation for 4-(6-methylpyran-2-ylidene)morpholin-4-ium?
The canonical SMILES for 4-(6-methylpyran-2-ylidene)morpholin-4-ium is Cc1cccc(=[N+]2CCOCC2)o1.
What is the InChIKey of 4-(6-methylpyran-2-ylidene)morpholin-4-ium?
The InChIKey is CLDRMJAYWSLPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NO2/c1-9-3-2-4-10(13-9)11-5-7-12-8-6-11/h2-4H,5-8H2,1H3/q+1.
What are the key properties of 4-(6-methylpyran-2-ylidene)morpholin-4-ium?
4-(6-methylpyran-2-ylidene)morpholin-4-ium has a molecular weight of 180.23 g/mol, XLogP of 0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylpyran-2-ylidene)morpholin-4-ium is sourced from PubChem (CID 15395985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).