4-[[(2S)-oxiran-2-yl]methyl]morpholin-4-ium

C7H14NO2+ — CID 6993792

IUPAC4-[[(2S)-oxiran-2-yl]methyl]morpholin-4-ium
SMILESC1C[NH+](C[C@H]2CO2)CCO1
InChIInChI=1S/C7H13NO2/c1-3-9-4-2-8(1)5-7-6-10-7/h7H,1-6H2/p+1/t7-/m0/s1
InChIKeyKKWQCCPQBCHJBZ-ZETCQYMHSA-O
MW144.19 g/mol
LogP-1.70
Rot. Bonds2

About 4-[[(2S)-oxiran-2-yl]methyl]morpholin-4-ium

4-[[(2S)-oxiran-2-yl]methyl]morpholin-4-ium (PubChem CID 6993792) has the molecular formula C7H14NO2+ and a molecular weight of 144.19 g/mol. Its IUPAC name is 4-[[(2S)-oxiran-2-yl]methyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[[(2S)-oxiran-2-yl]methyl]morpholin-4-ium
PubChem CID6993792
Molecular FormulaC7H14NO2+
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name4-[[(2S)-oxiran-2-yl]methyl]morpholin-4-ium
SMILESC1C[NH+](C[C@H]2CO2)CCO1
InChIInChI=1S/C7H13NO2/c1-3-9-4-2-8(1)5-7-6-10-7/h7H,1-6H2/p+1/t7-/m0/s1
InChIKeyKKWQCCPQBCHJBZ-ZETCQYMHSA-O
XLogP-1.70
TPSA26.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 5-1.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-[[(2S,4S)-2-[(1S)-cyclohex-3-en-1-yl]-1,3-dioxolan-4-yl]methyl]morpholin-4-ium
CID 7106458
(4R,5S)-2,2-dimethyl-5-(morpholin-4-ium-4-ylmethyl)oxan-4-ol
CID 1401343
2-morpholin-4-ium-4-ylethanol iodide
CID 89439326
4-butylmorpholin-4-ium
CID 18931037
4-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]morpholin-4-ium
CID 6935973
4-[(3-methylthiophen-2-yl)methyl]morpholin-4-ium
CID 6943004
oxolane;2-propyloxirane
CID 175023929
2-[13-(2-amino-2-oxoethyl)-1,4,10-trioxa-7,13-diazoniacyclopentadec-7-yl]acetamide
CID 7065669
4-[2-(2-morpholin-4-ium-4-ylethylsulfinyl)ethyl]morpholin-4-ium dichloride
CID 110175298
4-[(2-methylphenyl)methyl]morpholin-4-ium
CID 7445084
2-(chloro(113C)methyl)(2,3-13C2)oxirane
CID 76973011
1-[[(2S,4S)-2-[(2S)-2,4,4-trimethylpentyl]-1,3-dioxolan-4-yl]methyl]piperidin-1-ium
CID 7098393

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-oxiran-2-yl]methyl]morpholin-4-ium?
The IUPAC name of 4-[[(2S)-oxiran-2-yl]methyl]morpholin-4-ium (CID 6993792) is 4-[[(2S)-oxiran-2-yl]methyl]morpholin-4-ium.
What is the SMILES notation for 4-[[(2S)-oxiran-2-yl]methyl]morpholin-4-ium?
The canonical SMILES for 4-[[(2S)-oxiran-2-yl]methyl]morpholin-4-ium is C1C[NH+](C[C@H]2CO2)CCO1.
What is the InChIKey of 4-[[(2S)-oxiran-2-yl]methyl]morpholin-4-ium?
The InChIKey is KKWQCCPQBCHJBZ-ZETCQYMHSA-O. The full InChI is InChI=1S/C7H13NO2/c1-3-9-4-2-8(1)5-7-6-10-7/h7H,1-6H2/p+1/t7-/m0/s1.
What are the key properties of 4-[[(2S)-oxiran-2-yl]methyl]morpholin-4-ium?
4-[[(2S)-oxiran-2-yl]methyl]morpholin-4-ium has a molecular weight of 144.19 g/mol, XLogP of -1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-oxiran-2-yl]methyl]morpholin-4-ium is sourced from PubChem (CID 6993792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).