3-(azidomethyl)-3,5,5-trimethylmorpholin-2-one

C8H14N4O2 — CID 132547144

IUPAC3-(azidomethyl)-3,5,5-trimethylmorpholin-2-one
SMILESCC1(C)COC(=O)C(C)(CN=[N+]=[N-])N1
InChIInChI=1S/C8H14N4O2/c1-7(2)5-14-6(13)8(3,11-7)4-10-12-9/h11H,4-5H2,1-3H3
InChIKeyOIJORZJRVUSSQD-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.98
Rot. Bonds2

About 3-(azidomethyl)-3,5,5-trimethylmorpholin-2-one

3-(azidomethyl)-3,5,5-trimethylmorpholin-2-one (PubChem CID 132547144) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 3-(azidomethyl)-3,5,5-trimethylmorpholin-2-one.

Molecular Properties

Compound Name3-(azidomethyl)-3,5,5-trimethylmorpholin-2-one
PubChem CID132547144
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name3-(azidomethyl)-3,5,5-trimethylmorpholin-2-one
SMILESCC1(C)COC(=O)C(C)(CN=[N+]=[N-])N1
InChIInChI=1S/C8H14N4O2/c1-7(2)5-14-6(13)8(3,11-7)4-10-12-9/h11H,4-5H2,1-3H3
InChIKeyOIJORZJRVUSSQD-UHFFFAOYSA-N
XLogP0.98
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-ethyl-3,5,5-trimethylmorpholin-2-one
CID 42303356
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3-(azidomethyl)-3-methanimidoylpiperidin-4-one
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4-(azidomethyl)-N-methoxy-4-methylpyrrolidin-3-imine
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CID 150809746
(3R)-3-azido-4,4-dimethyloxolan-2-one
CID 46737241
(3R)-3-azido-3-methyloxolan-2-one
CID 23562298
3a,7a-dimethyl-4,7-dihydro-3H-2-benzofuran-1-one
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CID 102402061
methyl 1-(azidomethyl)cyclopropane-1-carboxylate
CID 129243283

Frequently Asked Questions

What is the IUPAC name of 3-(azidomethyl)-3,5,5-trimethylmorpholin-2-one?
The IUPAC name of 3-(azidomethyl)-3,5,5-trimethylmorpholin-2-one (CID 132547144) is 3-(azidomethyl)-3,5,5-trimethylmorpholin-2-one.
What is the SMILES notation for 3-(azidomethyl)-3,5,5-trimethylmorpholin-2-one?
The canonical SMILES for 3-(azidomethyl)-3,5,5-trimethylmorpholin-2-one is CC1(C)COC(=O)C(C)(CN=[N+]=[N-])N1.
What is the InChIKey of 3-(azidomethyl)-3,5,5-trimethylmorpholin-2-one?
The InChIKey is OIJORZJRVUSSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-7(2)5-14-6(13)8(3,11-7)4-10-12-9/h11H,4-5H2,1-3H3.
What are the key properties of 3-(azidomethyl)-3,5,5-trimethylmorpholin-2-one?
3-(azidomethyl)-3,5,5-trimethylmorpholin-2-one has a molecular weight of 198.23 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azidomethyl)-3,5,5-trimethylmorpholin-2-one is sourced from PubChem (CID 132547144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).