prop-2-enyl 3-hydroxypiperidine-4-carboxylate

C9H15NO3 — CID 70579526

IUPACprop-2-enyl 3-hydroxypiperidine-4-carboxylate
SMILESC=CCOC(=O)C1CCNCC1O
InChIInChI=1S/C9H15NO3/c1-2-5-13-9(12)7-3-4-10-6-8(7)11/h2,7-8,10-11H,1,3-6H2
InChIKeyCBGHHXZJGOBLKW-UHFFFAOYSA-N
MW185.22 g/mol
LogP-0.31
Rot. Bonds3

About prop-2-enyl 3-hydroxypiperidine-4-carboxylate

prop-2-enyl 3-hydroxypiperidine-4-carboxylate (PubChem CID 70579526) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is prop-2-enyl 3-hydroxypiperidine-4-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 3-hydroxypiperidine-4-carboxylate
PubChem CID70579526
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameprop-2-enyl 3-hydroxypiperidine-4-carboxylate
SMILESC=CCOC(=O)C1CCNCC1O
InChIInChI=1S/C9H15NO3/c1-2-5-13-9(12)7-3-4-10-6-8(7)11/h2,7-8,10-11H,1,3-6H2
InChIKeyCBGHHXZJGOBLKW-UHFFFAOYSA-N
XLogP-0.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-O-methyl 4-O-prop-2-enyl (3R,4R)-piperidine-3,4-dicarboxylate
CID 66953049
tert-butyl (3R,4R)-3-hydroxypiperidine-4-carboxylate
CID 96860128
bis(prop-2-enyl) 4-methylcyclohexane-1,2-dicarboxylate
CID 21184997
prop-2-enyl 5-oxo-1,4-diazepane-6-carboxylate
CID 154944680
bis(prop-2-enyl) (1R,3S,4S,6S)-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
CID 92525933
4-prop-2-enylpiperidin-3-ol
CID 89139617
4-hydroxypiperidine-3-carboxamide
CID 146446982
ethyl (3S,4R)-3-methylpiperidine-4-carboxylate
CID 27282207
ethyl (3S,4S)-3-methylpiperidine-4-carboxylate
CID 27282210
prop-2-enyl cyclododecanecarboxylate
CID 139624721
prop-2-enyl 2-oxopyrrolidine-3-carboxylate
CID 70598263
1-pyrrolidin-3-ylpent-4-en-2-one
CID 116583305

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-hydroxypiperidine-4-carboxylate?
The IUPAC name of prop-2-enyl 3-hydroxypiperidine-4-carboxylate (CID 70579526) is prop-2-enyl 3-hydroxypiperidine-4-carboxylate.
What is the SMILES notation for prop-2-enyl 3-hydroxypiperidine-4-carboxylate?
The canonical SMILES for prop-2-enyl 3-hydroxypiperidine-4-carboxylate is C=CCOC(=O)C1CCNCC1O.
What is the InChIKey of prop-2-enyl 3-hydroxypiperidine-4-carboxylate?
The InChIKey is CBGHHXZJGOBLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-5-13-9(12)7-3-4-10-6-8(7)11/h2,7-8,10-11H,1,3-6H2.
What are the key properties of prop-2-enyl 3-hydroxypiperidine-4-carboxylate?
prop-2-enyl 3-hydroxypiperidine-4-carboxylate has a molecular weight of 185.22 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-hydroxypiperidine-4-carboxylate is sourced from PubChem (CID 70579526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).