(1S)-2-(diethylamino)-1-[(2R,3R)-2-ethenyloxetan-3-yl]ethanol

C11H21NO2 — CID 134995514

IUPAC(1S)-2-(diethylamino)-1-[(2R,3R)-2-ethenyloxetan-3-yl]ethanol
SMILESC=C[C@H]1OC[C@@H]1[C@H](O)CN(CC)CC
InChIInChI=1S/C11H21NO2/c1-4-11-9(8-14-11)10(13)7-12(5-2)6-3/h4,9-11,13H,1,5-8H2,2-3H3/t9-,10-,11-/m1/s1
InChIKeyPICGVSJSIQPOOZ-GMTAPVOTSA-N
MW199.29 g/mol
LogP0.89
Rot. Bonds6

About (1S)-2-(diethylamino)-1-[(2R,3R)-2-ethenyloxetan-3-yl]ethanol

(1S)-2-(diethylamino)-1-[(2R,3R)-2-ethenyloxetan-3-yl]ethanol (PubChem CID 134995514) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (1S)-2-(diethylamino)-1-[(2R,3R)-2-ethenyloxetan-3-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-(diethylamino)-1-[(2R,3R)-2-ethenyloxetan-3-yl]ethanol
PubChem CID134995514
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(1S)-2-(diethylamino)-1-[(2R,3R)-2-ethenyloxetan-3-yl]ethanol
SMILESC=C[C@H]1OC[C@@H]1[C@H](O)CN(CC)CC
InChIInChI=1S/C11H21NO2/c1-4-11-9(8-14-11)10(13)7-12(5-2)6-3/h4,9-11,13H,1,5-8H2,2-3H3/t9-,10-,11-/m1/s1
InChIKeyPICGVSJSIQPOOZ-GMTAPVOTSA-N
XLogP0.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

actinium;4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol
CID 20696743
actinium;4-[(E)-3-iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol
CID 20696745
actinium;4-[(E)-3-(123I)iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol
CID 59971185
4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol
CID 20696744
4-[(E)-3-iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol
CID 20696746
4-[(E)-3-(123I)iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol
CID 59971186
1-[Methyl(oxan-4-ylmethyl)amino]hex-5-en-2-ol
CID 109920921
1-[4-(Ethoxymethyl)piperidin-1-yl]hex-5-en-2-ol
CID 112283433

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(diethylamino)-1-[(2R,3R)-2-ethenyloxetan-3-yl]ethanol?
The IUPAC name of (1S)-2-(diethylamino)-1-[(2R,3R)-2-ethenyloxetan-3-yl]ethanol (CID 134995514) is (1S)-2-(diethylamino)-1-[(2R,3R)-2-ethenyloxetan-3-yl]ethanol.
What is the SMILES notation for (1S)-2-(diethylamino)-1-[(2R,3R)-2-ethenyloxetan-3-yl]ethanol?
The canonical SMILES for (1S)-2-(diethylamino)-1-[(2R,3R)-2-ethenyloxetan-3-yl]ethanol is C=C[C@H]1OC[C@@H]1[C@H](O)CN(CC)CC.
What is the InChIKey of (1S)-2-(diethylamino)-1-[(2R,3R)-2-ethenyloxetan-3-yl]ethanol?
The InChIKey is PICGVSJSIQPOOZ-GMTAPVOTSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-11-9(8-14-11)10(13)7-12(5-2)6-3/h4,9-11,13H,1,5-8H2,2-3H3/t9-,10-,11-/m1/s1.
What are the key properties of (1S)-2-(diethylamino)-1-[(2R,3R)-2-ethenyloxetan-3-yl]ethanol?
(1S)-2-(diethylamino)-1-[(2R,3R)-2-ethenyloxetan-3-yl]ethanol has a molecular weight of 199.29 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(diethylamino)-1-[(2R,3R)-2-ethenyloxetan-3-yl]ethanol is sourced from PubChem (CID 134995514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).