ethene;ethyl piperidine-1-carboxylate

C10H19NO2 — CID 170576179

IUPACethene;ethyl piperidine-1-carboxylate
SMILESC=C.CCOC(=O)N1CCCCC1
InChIInChI=1S/C8H15NO2.C2H4/c1-2-11-8(10)9-6-4-3-5-7-9;1-2/h2-7H2,1H3;1-2H2
InChIKeyWITOXNIBSYHRBT-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.43
Rot. Bonds1

About ethene;ethyl piperidine-1-carboxylate

ethene;ethyl piperidine-1-carboxylate (PubChem CID 170576179) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethene;ethyl piperidine-1-carboxylate.

Molecular Properties

Compound Nameethene;ethyl piperidine-1-carboxylate
PubChem CID170576179
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethene;ethyl piperidine-1-carboxylate
SMILESC=C.CCOC(=O)N1CCCCC1
InChIInChI=1S/C8H15NO2.C2H4/c1-2-11-8(10)9-6-4-3-5-7-9;1-2/h2-7H2,1H3;1-2H2
InChIKeyWITOXNIBSYHRBT-UHFFFAOYSA-N
XLogP2.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethene;ethyl piperidine-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 ethene;ethyl piperidine-1-carboxylate?
The IUPAC name of ethene;ethyl piperidine-1-carboxylate (CID 170576179) is ethene;ethyl piperidine-1-carboxylate.
What is the SMILES notation for ethene;ethyl piperidine-1-carboxylate?
The canonical SMILES for ethene;ethyl piperidine-1-carboxylate is C=C.CCOC(=O)N1CCCCC1.
What is the InChIKey of ethene;ethyl piperidine-1-carboxylate?
The InChIKey is WITOXNIBSYHRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C2H4/c1-2-11-8(10)9-6-4-3-5-7-9;1-2/h2-7H2,1H3;1-2H2.
What are the key properties of ethene;ethyl piperidine-1-carboxylate?
ethene;ethyl piperidine-1-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;ethyl piperidine-1-carboxylate is sourced from PubChem (CID 170576179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).