ethenyl 4-cyanopiperidine-1-carboxylate

C9H12N2O2 — CID 14418315

IUPACethenyl 4-cyanopiperidine-1-carboxylate
SMILESC=COC(=O)N1CCC(C#N)CC1
InChIInChI=1S/C9H12N2O2/c1-2-13-9(12)11-5-3-8(7-10)4-6-11/h2,8H,1,3-6H2
InChIKeyONFOTEHIMRBNDC-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.50
Rot. Bonds1

About ethenyl 4-cyanopiperidine-1-carboxylate

ethenyl 4-cyanopiperidine-1-carboxylate (PubChem CID 14418315) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is ethenyl 4-cyanopiperidine-1-carboxylate.

Molecular Properties

Compound Nameethenyl 4-cyanopiperidine-1-carboxylate
PubChem CID14418315
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Nameethenyl 4-cyanopiperidine-1-carboxylate
SMILESC=COC(=O)N1CCC(C#N)CC1
InChIInChI=1S/C9H12N2O2/c1-2-13-9(12)11-5-3-8(7-10)4-6-11/h2,8H,1,3-6H2
InChIKeyONFOTEHIMRBNDC-UHFFFAOYSA-N
XLogP1.50
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl 4-cyanopiperidine-1-carboxylate?
The IUPAC name of ethenyl 4-cyanopiperidine-1-carboxylate (CID 14418315) is ethenyl 4-cyanopiperidine-1-carboxylate.
What is the SMILES notation for ethenyl 4-cyanopiperidine-1-carboxylate?
The canonical SMILES for ethenyl 4-cyanopiperidine-1-carboxylate is C=COC(=O)N1CCC(C#N)CC1.
What is the InChIKey of ethenyl 4-cyanopiperidine-1-carboxylate?
The InChIKey is ONFOTEHIMRBNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-13-9(12)11-5-3-8(7-10)4-6-11/h2,8H,1,3-6H2.
What are the key properties of ethenyl 4-cyanopiperidine-1-carboxylate?
ethenyl 4-cyanopiperidine-1-carboxylate has a molecular weight of 180.21 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 4-cyanopiperidine-1-carboxylate is sourced from PubChem (CID 14418315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).