hydrogen carbonate;4-methylmorpholin-4-ium

C6H13NO4 — CID 22362878

IUPAChydrogen carbonate;4-methylmorpholin-4-ium
SMILESC[NH+]1CCOCC1.O=C([O-])O
InChIInChI=1S/C5H11NO.CH2O3/c1-6-2-4-7-5-3-6;2-1(3)4/h2-5H2,1H3;(H2,2,3,4)
InChIKeyDWZCFXPEGWXKEL-UHFFFAOYSA-N
MW163.17 g/mol
LogP-2.58
Rot. Bonds

About hydrogen carbonate;4-methylmorpholin-4-ium

hydrogen carbonate;4-methylmorpholin-4-ium (PubChem CID 22362878) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is hydrogen carbonate;4-methylmorpholin-4-ium.

Molecular Properties

Compound Namehydrogen carbonate;4-methylmorpholin-4-ium
PubChem CID22362878
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Namehydrogen carbonate;4-methylmorpholin-4-ium
SMILESC[NH+]1CCOCC1.O=C([O-])O
InChIInChI=1S/C5H11NO.CH2O3/c1-6-2-4-7-5-3-6;2-1(3)4/h2-5H2,1H3;(H2,2,3,4)
InChIKeyDWZCFXPEGWXKEL-UHFFFAOYSA-N
XLogP-2.58
TPSA74.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-2.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of hydrogen carbonate;4-methylmorpholin-4-ium?
The IUPAC name of hydrogen carbonate;4-methylmorpholin-4-ium (CID 22362878) is hydrogen carbonate;4-methylmorpholin-4-ium.
What is the SMILES notation for hydrogen carbonate;4-methylmorpholin-4-ium?
The canonical SMILES for hydrogen carbonate;4-methylmorpholin-4-ium is C[NH+]1CCOCC1.O=C([O-])O.
What is the InChIKey of hydrogen carbonate;4-methylmorpholin-4-ium?
The InChIKey is DWZCFXPEGWXKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.CH2O3/c1-6-2-4-7-5-3-6;2-1(3)4/h2-5H2,1H3;(H2,2,3,4).
What are the key properties of hydrogen carbonate;4-methylmorpholin-4-ium?
hydrogen carbonate;4-methylmorpholin-4-ium has a molecular weight of 163.17 g/mol, XLogP of -2.58, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen carbonate;4-methylmorpholin-4-ium is sourced from PubChem (CID 22362878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).