prop-2-enyl (2R,3S)-2-ethenyl-3-hydroxypiperidine-1-carboxylate

C11H17NO3 — CID 138983416

IUPACprop-2-enyl (2R,3S)-2-ethenyl-3-hydroxypiperidine-1-carboxylate
SMILESC=CCOC(=O)N1CCC[C@H](O)[C@H]1C=C
InChIInChI=1S/C11H17NO3/c1-3-8-15-11(14)12-7-5-6-10(13)9(12)4-2/h3-4,9-10,13H,1-2,5-8H2/t9-,10+/m1/s1
InChIKeyQGWKJTYQXXWTMA-ZJUUUORDSA-N
MW211.26 g/mol
LogP1.32
Rot. Bonds3

About prop-2-enyl (2R,3S)-2-ethenyl-3-hydroxypiperidine-1-carboxylate

prop-2-enyl (2R,3S)-2-ethenyl-3-hydroxypiperidine-1-carboxylate (PubChem CID 138983416) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is prop-2-enyl (2R,3S)-2-ethenyl-3-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (2R,3S)-2-ethenyl-3-hydroxypiperidine-1-carboxylate
PubChem CID138983416
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nameprop-2-enyl (2R,3S)-2-ethenyl-3-hydroxypiperidine-1-carboxylate
SMILESC=CCOC(=O)N1CCC[C@H](O)[C@H]1C=C
InChIInChI=1S/C11H17NO3/c1-3-8-15-11(14)12-7-5-6-10(13)9(12)4-2/h3-4,9-10,13H,1-2,5-8H2/t9-,10+/m1/s1
InChIKeyQGWKJTYQXXWTMA-ZJUUUORDSA-N
XLogP1.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.32
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

prop-2-enyl (2S)-2-(hydroxymethyl)piperidine-1-carboxylate
CID 145294424
tert-butyl (2R,3S)-3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate
CID 162352191
tert-butyl (2R,3R)-2-ethenyl-3-hydroxypiperidine-1-carboxylate
CID 10998741
Tert-butyl (2R,3S)-3-hydroxy-2-vinyl-piperidine-1-carboxylate
CID 11031589
tert-butyl (2S,3S)-2-allyl-3-hydroxy-piperidine-1-carboxylate
CID 11846333
Ethyl 3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate
CID 15315646
Prop-2-en-1-yl 3-hydroxypiperidine-1-carboxylate
CID 64281786
Prop-2-enyl 2-(hydroxymethyl)piperidine-1-carboxylate
CID 64281787
Tert-butyl 2-allyl-3-hydroxy-piperidine-1-carboxylate
CID 73124336
Tert-butyl 2-ethenyl-3-hydroxypiperidine-1-carboxylate
CID 85361303
prop-2-enyl (3S)-3-hydroxypiperidine-1-carboxylate
CID 107224891
cis-Tert-butyl 2-allyl-3-hydroxypiperidine-1-carboxylate
CID 124668364

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2R,3S)-2-ethenyl-3-hydroxypiperidine-1-carboxylate?
The IUPAC name of prop-2-enyl (2R,3S)-2-ethenyl-3-hydroxypiperidine-1-carboxylate (CID 138983416) is prop-2-enyl (2R,3S)-2-ethenyl-3-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl (2R,3S)-2-ethenyl-3-hydroxypiperidine-1-carboxylate?
The canonical SMILES for prop-2-enyl (2R,3S)-2-ethenyl-3-hydroxypiperidine-1-carboxylate is C=CCOC(=O)N1CCC[C@H](O)[C@H]1C=C.
What is the InChIKey of prop-2-enyl (2R,3S)-2-ethenyl-3-hydroxypiperidine-1-carboxylate?
The InChIKey is QGWKJTYQXXWTMA-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-8-15-11(14)12-7-5-6-10(13)9(12)4-2/h3-4,9-10,13H,1-2,5-8H2/t9-,10+/m1/s1.
What are the key properties of prop-2-enyl (2R,3S)-2-ethenyl-3-hydroxypiperidine-1-carboxylate?
prop-2-enyl (2R,3S)-2-ethenyl-3-hydroxypiperidine-1-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2R,3S)-2-ethenyl-3-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 138983416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).