ethyl 1-azacyclopentadecene-3-carboxylate

C17H31NO2 — CID 175216508

IUPACethyl 1-azacyclopentadecene-3-carboxylate
SMILESCCOC(=O)C1/C=N\CCCCCCCCCCCC1
InChIInChI=1S/C17H31NO2/c1-2-20-17(19)16-13-11-9-7-5-3-4-6-8-10-12-14-18-15-16/h15-16H,2-14H2,1H3/b18-15-
InChIKeyUYKQBHWZPYINAK-SDXDJHTJSA-N
MW281.44 g/mol
LogP4.54
Rot. Bonds2

About ethyl 1-azacyclopentadecene-3-carboxylate

ethyl 1-azacyclopentadecene-3-carboxylate (PubChem CID 175216508) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is ethyl 1-azacyclopentadecene-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-azacyclopentadecene-3-carboxylate
PubChem CID175216508
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Nameethyl 1-azacyclopentadecene-3-carboxylate
SMILESCCOC(=O)C1/C=N\CCCCCCCCCCCC1
InChIInChI=1S/C17H31NO2/c1-2-20-17(19)16-13-11-9-7-5-3-4-6-8-10-12-14-18-15-16/h15-16H,2-14H2,1H3/b18-15-
InChIKeyUYKQBHWZPYINAK-SDXDJHTJSA-N
XLogP4.54
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-azacyclopentadecene-3-carboxylate?
The IUPAC name of ethyl 1-azacyclopentadecene-3-carboxylate (CID 175216508) is ethyl 1-azacyclopentadecene-3-carboxylate.
What is the SMILES notation for ethyl 1-azacyclopentadecene-3-carboxylate?
The canonical SMILES for ethyl 1-azacyclopentadecene-3-carboxylate is CCOC(=O)C1/C=N\CCCCCCCCCCCC1.
What is the InChIKey of ethyl 1-azacyclopentadecene-3-carboxylate?
The InChIKey is UYKQBHWZPYINAK-SDXDJHTJSA-N. The full InChI is InChI=1S/C17H31NO2/c1-2-20-17(19)16-13-11-9-7-5-3-4-6-8-10-12-14-18-15-16/h15-16H,2-14H2,1H3/b18-15-.
What are the key properties of ethyl 1-azacyclopentadecene-3-carboxylate?
ethyl 1-azacyclopentadecene-3-carboxylate has a molecular weight of 281.44 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-azacyclopentadecene-3-carboxylate is sourced from PubChem (CID 175216508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).