morpholin-4-ium formate

C5H11NO3 — CID 21327648

IUPACmorpholin-4-ium formate
SMILESC1COCC[NH2+]1.O=C[O-]
InChIInChI=1S/C4H9NO.CH2O2/c1-3-6-4-2-5-1;2-1-3/h5H,1-4H2;1H,(H,2,3)
InChIKeyBDHPJXPOQGPUNI-UHFFFAOYSA-N
MW133.15 g/mol
LogP-3.05
Rot. Bonds

About morpholin-4-ium formate

morpholin-4-ium formate (PubChem CID 21327648) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is morpholin-4-ium formate.

Molecular Properties

Compound Namemorpholin-4-ium formate
PubChem CID21327648
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Namemorpholin-4-ium formate
SMILESC1COCC[NH2+]1.O=C[O-]
InChIInChI=1S/C4H9NO.CH2O2/c1-3-6-4-2-5-1;2-1-3/h5H,1-4H2;1H,(H,2,3)
InChIKeyBDHPJXPOQGPUNI-UHFFFAOYSA-N
XLogP-3.05
TPSA65.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-3.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Mor-pholinium acetate
CID 10942589
Morpholine formate
CID 13094120
Morpholine water
CID 67723360
Morpholine carbonate
CID 68879409
N-methyl-morpholinium formate
CID 134716117
(1-Fluoropiperazin-2-yl) formate
CID 144766424
2-Morpholin-4-ylethyl formate
CID 17911311
CID 19024395
CID 19024395
2-(Ethylamino)ethyl formate
CID 20657777
Morpholin-4-ium hydroxide
CID 21869043
2-(2-Formyloxyethylamino)ethyl formate
CID 21872325
Formamide;morpholine
CID 22640063

Frequently Asked Questions

What is the IUPAC name of morpholin-4-ium formate?
The IUPAC name of morpholin-4-ium formate (CID 21327648) is morpholin-4-ium formate.
What is the SMILES notation for morpholin-4-ium formate?
The canonical SMILES for morpholin-4-ium formate is C1COCC[NH2+]1.O=C[O-].
What is the InChIKey of morpholin-4-ium formate?
The InChIKey is BDHPJXPOQGPUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.CH2O2/c1-3-6-4-2-5-1;2-1-3/h5H,1-4H2;1H,(H,2,3).
What are the key properties of morpholin-4-ium formate?
morpholin-4-ium formate has a molecular weight of 133.15 g/mol, XLogP of -3.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-ium formate is sourced from PubChem (CID 21327648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).