(2R,5S)-2-(1-methoxyethenyl)-3,5-dimethyl-1,3-oxazolidine

C8H15NO2 — CID 131072081

IUPAC(2R,5S)-2-(1-methoxyethenyl)-3,5-dimethyl-1,3-oxazolidine
SMILESC=C(OC)[C@H]1O[C@@H](C)CN1C
InChIInChI=1S/C8H15NO2/c1-6-5-9(3)8(11-6)7(2)10-4/h6,8H,2,5H2,1,3-4H3/t6-,8+/m0/s1
InChIKeyVMGFCKSOVDCOIG-POYBYMJQSA-N
MW157.21 g/mol
LogP0.82
Rot. Bonds2

About (2R,5S)-2-(1-methoxyethenyl)-3,5-dimethyl-1,3-oxazolidine

(2R,5S)-2-(1-methoxyethenyl)-3,5-dimethyl-1,3-oxazolidine (PubChem CID 131072081) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (2R,5S)-2-(1-methoxyethenyl)-3,5-dimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name(2R,5S)-2-(1-methoxyethenyl)-3,5-dimethyl-1,3-oxazolidine
PubChem CID131072081
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(2R,5S)-2-(1-methoxyethenyl)-3,5-dimethyl-1,3-oxazolidine
SMILESC=C(OC)[C@H]1O[C@@H](C)CN1C
InChIInChI=1S/C8H15NO2/c1-6-5-9(3)8(11-6)7(2)10-4/h6,8H,2,5H2,1,3-4H3/t6-,8+/m0/s1
InChIKeyVMGFCKSOVDCOIG-POYBYMJQSA-N
XLogP0.82
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(1R,2S,5S)-2-(1-methoxyethenyl)-3-methyl-3-azabicyclo[3.1.0]hexane
CID 167254812
methyl 2-(2,6-dimethylmorpholin-4-yl)acetate
CID 22198251
(2S,6R)-4-(2-methoxyethyl)-2,6-dimethylmorpholine
CID 89016342
ethane;(2S,6R)-2,4,6-trimethylmorpholine
CID 142013694
methyl 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanoate
CID 103936716
methyl 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoate
CID 104959277
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methoxypropan-1-one
CID 103932975
methyl 2-(6-methyl-4-phosphanylmorpholin-2-yl)acetate
CID 20714261
(2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid
CID 137442866
2,6-dimethylmorpholine-4-carboxylic acid
CID 22047773
1-(1-methylaziridin-2-yl)ethenamine
CID 173470431
methyl (2R,6R)-4-but-3-enyl-6-methylmorpholine-2-carboxylate
CID 97064900

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-(1-methoxyethenyl)-3,5-dimethyl-1,3-oxazolidine?
The IUPAC name of (2R,5S)-2-(1-methoxyethenyl)-3,5-dimethyl-1,3-oxazolidine (CID 131072081) is (2R,5S)-2-(1-methoxyethenyl)-3,5-dimethyl-1,3-oxazolidine.
What is the SMILES notation for (2R,5S)-2-(1-methoxyethenyl)-3,5-dimethyl-1,3-oxazolidine?
The canonical SMILES for (2R,5S)-2-(1-methoxyethenyl)-3,5-dimethyl-1,3-oxazolidine is C=C(OC)[C@H]1O[C@@H](C)CN1C.
What is the InChIKey of (2R,5S)-2-(1-methoxyethenyl)-3,5-dimethyl-1,3-oxazolidine?
The InChIKey is VMGFCKSOVDCOIG-POYBYMJQSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6-5-9(3)8(11-6)7(2)10-4/h6,8H,2,5H2,1,3-4H3/t6-,8+/m0/s1.
What are the key properties of (2R,5S)-2-(1-methoxyethenyl)-3,5-dimethyl-1,3-oxazolidine?
(2R,5S)-2-(1-methoxyethenyl)-3,5-dimethyl-1,3-oxazolidine has a molecular weight of 157.21 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-(1-methoxyethenyl)-3,5-dimethyl-1,3-oxazolidine is sourced from PubChem (CID 131072081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).