4-methylmorpholin-4-ium formate

C6H13NO3 — CID 134716117

IUPAC4-methylmorpholin-4-ium formate
SMILESC[NH+]1CCOCC1.O=C[O-]
InChIInChI=1S/C5H11NO.CH2O2/c1-6-2-4-7-5-3-6;2-1-3/h2-5H2,1H3;1H,(H,2,3)
InChIKeyQRSLOWGOGVHIKB-UHFFFAOYSA-N
MW147.17 g/mol
LogP-3.10
Rot. Bonds

About 4-methylmorpholin-4-ium formate

4-methylmorpholin-4-ium formate (PubChem CID 134716117) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 4-methylmorpholin-4-ium formate.

Molecular Properties

Compound Name4-methylmorpholin-4-ium formate
PubChem CID134716117
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name4-methylmorpholin-4-ium formate
SMILESC[NH+]1CCOCC1.O=C[O-]
InChIInChI=1S/C5H11NO.CH2O2/c1-6-2-4-7-5-3-6;2-1-3/h2-5H2,1H3;1H,(H,2,3)
InChIKeyQRSLOWGOGVHIKB-UHFFFAOYSA-N
XLogP-3.10
TPSA53.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-3.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylmorpholin-4-ium formate?
The IUPAC name of 4-methylmorpholin-4-ium formate (CID 134716117) is 4-methylmorpholin-4-ium formate.
What is the SMILES notation for 4-methylmorpholin-4-ium formate?
The canonical SMILES for 4-methylmorpholin-4-ium formate is C[NH+]1CCOCC1.O=C[O-].
What is the InChIKey of 4-methylmorpholin-4-ium formate?
The InChIKey is QRSLOWGOGVHIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.CH2O2/c1-6-2-4-7-5-3-6;2-1-3/h2-5H2,1H3;1H,(H,2,3).
What are the key properties of 4-methylmorpholin-4-ium formate?
4-methylmorpholin-4-ium formate has a molecular weight of 147.17 g/mol, XLogP of -3.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylmorpholin-4-ium formate is sourced from PubChem (CID 134716117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).