prop-2-enyl (3S)-3-hydroxypiperidine-1-carboxylate

C9H15NO3 — CID 107224891

IUPACprop-2-enyl (3S)-3-hydroxypiperidine-1-carboxylate
SMILESC=CCOC(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C9H15NO3/c1-2-6-13-9(12)10-5-3-4-8(11)7-10/h2,8,11H,1,3-7H2/t8-/m0/s1
InChIKeyKJJXPILHCYIDCY-QMMMGPOBSA-N
MW185.22 g/mol
LogP0.77
Rot. Bonds2

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

prop-2-enyl (3S)-3-hydroxypiperidine-1-carboxylate (PubChem CID 107224891) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is prop-2-enyl (3S)-3-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (3S)-3-hydroxypiperidine-1-carboxylate
PubChem CID107224891
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameprop-2-enyl (3S)-3-hydroxypiperidine-1-carboxylate
SMILESC=CCOC(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C9H15NO3/c1-2-6-13-9(12)10-5-3-4-8(11)7-10/h2,8,11H,1,3-7H2/t8-/m0/s1
InChIKeyKJJXPILHCYIDCY-QMMMGPOBSA-N
XLogP0.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.77
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-en-1-yl 4-hydroxypiperidine-1-carboxylate
CID 10679086
prop-2-enyl (2R,3S)-2-ethenyl-3-hydroxypiperidine-1-carboxylate
CID 138983416
Prop-2-enyl 2-hydroxypiperidine-1-carboxylate
CID 14337537
1-Allyloxycarbonyl-4-hydroxymethylpiperidine
CID 15117273
(3S)-3-prop-2-enoxypiperidine-1-carboxylic acid
CID 66896317
4-Prop-2-enoxypiperidine-1-carboxylic acid
CID 69040057
3-Prop-2-enoxypiperidine-1-carboxylic acid
CID 77164706
Ethyl 3-prop-2-enoxypiperidine-1-carboxylate
CID 91268093
prop-2-enyl (2S)-2-(hydroxymethyl)piperidine-1-carboxylate
CID 145294424
Prop-2-en-1-yl 3-hydroxypiperidine-1-carboxylate
CID 64281786
Prop-2-enyl 2-(hydroxymethyl)piperidine-1-carboxylate
CID 64281787
Prop-2-enyl 3-hydroxy-4-methylpiperidine-1-carboxylate
CID 102958953

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (3S)-3-hydroxypiperidine-1-carboxylate?
The IUPAC name of prop-2-enyl (3S)-3-hydroxypiperidine-1-carboxylate (CID 107224891) is prop-2-enyl (3S)-3-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl (3S)-3-hydroxypiperidine-1-carboxylate?
The canonical SMILES for prop-2-enyl (3S)-3-hydroxypiperidine-1-carboxylate is C=CCOC(=O)N1CCC[C@H](O)C1.
What is the InChIKey of prop-2-enyl (3S)-3-hydroxypiperidine-1-carboxylate?
The InChIKey is KJJXPILHCYIDCY-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-6-13-9(12)10-5-3-4-8(11)7-10/h2,8,11H,1,3-7H2/t8-/m0/s1.
What are the key properties of prop-2-enyl (3S)-3-hydroxypiperidine-1-carboxylate?
prop-2-enyl (3S)-3-hydroxypiperidine-1-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (3S)-3-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 107224891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).