4-oxido-2-propylmorpholin-4-ium

C7H15NO2 — CID 155144361

IUPAC4-oxido-2-propylmorpholin-4-ium
SMILESCCCC1C[NH+]([O-])CCO1
InChIInChI=1S/C7H15NO2/c1-2-3-7-6-8(9)4-5-10-7/h7-8H,2-6H2,1H3
InChIKeyMLOMIVUQQHNHCZ-UHFFFAOYSA-N
MW145.20 g/mol
LogP-0.43
Rot. Bonds2

About 4-oxido-2-propylmorpholin-4-ium

4-oxido-2-propylmorpholin-4-ium (PubChem CID 155144361) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 4-oxido-2-propylmorpholin-4-ium.

Molecular Properties

Compound Name4-oxido-2-propylmorpholin-4-ium
PubChem CID155144361
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name4-oxido-2-propylmorpholin-4-ium
SMILESCCCC1C[NH+]([O-])CCO1
InChIInChI=1S/C7H15NO2/c1-2-3-7-6-8(9)4-5-10-7/h7-8H,2-6H2,1H3
InChIKeyMLOMIVUQQHNHCZ-UHFFFAOYSA-N
XLogP-0.43
TPSA36.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-oxidomorpholin-4-ium-2-yl)propyl]pentan-1-amine
CID 87111461
(5-propyl-6-oxaspiro[2.5]octan-2-yl)methanol
CID 81358520
7-propyl-1,4-oxazepane
CID 165441817
oxolane;2-propyloxirane
CID 175023929
2-propylmorpholine-4-carbonitrile
CID 175059333
CID 175475934
CID 175475934
2-propyl-1,4-oxathiane 4,4-dioxide
CID 21102848
4-ethyl-2-propylmorpholine
CID 127673597
2-ethyl-4-methylmorpholin-4-ium tetrafluoroborate
CID 174842729
(2S,4R)-4-methyl-2-propyloxan-4-ol
CID 45083243
4-methyl-2-propyl-1,4-oxazepane
CID 165407409
4-propan-2-yl-2-propylmorpholine
CID 118118152

Frequently Asked Questions

What is the IUPAC name of 4-oxido-2-propylmorpholin-4-ium?
The IUPAC name of 4-oxido-2-propylmorpholin-4-ium (CID 155144361) is 4-oxido-2-propylmorpholin-4-ium.
What is the SMILES notation for 4-oxido-2-propylmorpholin-4-ium?
The canonical SMILES for 4-oxido-2-propylmorpholin-4-ium is CCCC1C[NH+]([O-])CCO1.
What is the InChIKey of 4-oxido-2-propylmorpholin-4-ium?
The InChIKey is MLOMIVUQQHNHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-2-3-7-6-8(9)4-5-10-7/h7-8H,2-6H2,1H3.
What are the key properties of 4-oxido-2-propylmorpholin-4-ium?
4-oxido-2-propylmorpholin-4-ium has a molecular weight of 145.20 g/mol, XLogP of -0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxido-2-propylmorpholin-4-ium is sourced from PubChem (CID 155144361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).