ethyl azacycloundecane-1-carboxylate

C13H25NO2 — CID 67670496

IUPACethyl azacycloundecane-1-carboxylate
SMILESCCOC(=O)N1CCCCCCCCCC1
InChIInChI=1S/C13H25NO2/c1-2-16-13(15)14-11-9-7-5-3-4-6-8-10-12-14/h2-12H2,1H3
InChIKeyRVVJYCQZPIQPOD-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.58
Rot. Bonds1

About ethyl azacycloundecane-1-carboxylate

ethyl azacycloundecane-1-carboxylate (PubChem CID 67670496) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is ethyl azacycloundecane-1-carboxylate.

Molecular Properties

Compound Nameethyl azacycloundecane-1-carboxylate
PubChem CID67670496
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nameethyl azacycloundecane-1-carboxylate
SMILESCCOC(=O)N1CCCCCCCCCC1
InChIInChI=1S/C13H25NO2/c1-2-16-13(15)14-11-9-7-5-3-4-6-8-10-12-14/h2-12H2,1H3
InChIKeyRVVJYCQZPIQPOD-UHFFFAOYSA-N
XLogP3.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl azacycloundecane-1-carboxylate?
The IUPAC name of ethyl azacycloundecane-1-carboxylate (CID 67670496) is ethyl azacycloundecane-1-carboxylate.
What is the SMILES notation for ethyl azacycloundecane-1-carboxylate?
The canonical SMILES for ethyl azacycloundecane-1-carboxylate is CCOC(=O)N1CCCCCCCCCC1.
What is the InChIKey of ethyl azacycloundecane-1-carboxylate?
The InChIKey is RVVJYCQZPIQPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-2-16-13(15)14-11-9-7-5-3-4-6-8-10-12-14/h2-12H2,1H3.
What are the key properties of ethyl azacycloundecane-1-carboxylate?
ethyl azacycloundecane-1-carboxylate has a molecular weight of 227.35 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl azacycloundecane-1-carboxylate is sourced from PubChem (CID 67670496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).