prop-2-enyl 2-hydroxypiperidine-1-carboxylate

C9H15NO3 — CID 14337537

IUPACprop-2-enyl 2-hydroxypiperidine-1-carboxylate
SMILESC=CCOC(=O)N1CCCCC1O
InChIInChI=1S/C9H15NO3/c1-2-7-13-9(12)10-6-4-3-5-8(10)11/h2,8,11H,1,3-7H2
InChIKeyIMNGUHLZSODLFS-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.11
Rot. Bonds2

About prop-2-enyl 2-hydroxypiperidine-1-carboxylate

prop-2-enyl 2-hydroxypiperidine-1-carboxylate (PubChem CID 14337537) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is prop-2-enyl 2-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 2-hydroxypiperidine-1-carboxylate
PubChem CID14337537
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameprop-2-enyl 2-hydroxypiperidine-1-carboxylate
SMILESC=CCOC(=O)N1CCCCC1O
InChIInChI=1S/C9H15NO3/c1-2-7-13-9(12)10-6-4-3-5-8(10)11/h2,8,11H,1,3-7H2
InChIKeyIMNGUHLZSODLFS-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze prop-2-enyl 2-hydroxypiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-hydroxypiperidine-1-carboxylate?
The IUPAC name of prop-2-enyl 2-hydroxypiperidine-1-carboxylate (CID 14337537) is prop-2-enyl 2-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 2-hydroxypiperidine-1-carboxylate?
The canonical SMILES for prop-2-enyl 2-hydroxypiperidine-1-carboxylate is C=CCOC(=O)N1CCCCC1O.
What is the InChIKey of prop-2-enyl 2-hydroxypiperidine-1-carboxylate?
The InChIKey is IMNGUHLZSODLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-7-13-9(12)10-6-4-3-5-8(10)11/h2,8,11H,1,3-7H2.
What are the key properties of prop-2-enyl 2-hydroxypiperidine-1-carboxylate?
prop-2-enyl 2-hydroxypiperidine-1-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 14337537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).