methyl 1-azacyclotetradecene-4-carboxylate

C15H27NO2 — CID 140966957

IUPACmethyl 1-azacyclotetradecene-4-carboxylate
SMILESCOC(=O)C1C/C=N/CCCCCCCCCC1
InChIInChI=1S/C15H27NO2/c1-18-15(17)14-10-8-6-4-2-3-5-7-9-12-16-13-11-14/h13-14H,2-12H2,1H3/b16-13+
InChIKeyGJGTYBBORRGHAN-DTQAZKPQSA-N
MW253.39 g/mol
LogP3.76
Rot. Bonds1

About methyl 1-azacyclotetradecene-4-carboxylate

methyl 1-azacyclotetradecene-4-carboxylate (PubChem CID 140966957) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is methyl 1-azacyclotetradecene-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-azacyclotetradecene-4-carboxylate
PubChem CID140966957
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Namemethyl 1-azacyclotetradecene-4-carboxylate
SMILESCOC(=O)C1C/C=N/CCCCCCCCCC1
InChIInChI=1S/C15H27NO2/c1-18-15(17)14-10-8-6-4-2-3-5-7-9-12-16-13-11-14/h13-14H,2-12H2,1H3/b16-13+
InChIKeyGJGTYBBORRGHAN-DTQAZKPQSA-N
XLogP3.76
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-azacyclotetradecene-4-carboxylate?
The IUPAC name of methyl 1-azacyclotetradecene-4-carboxylate (CID 140966957) is methyl 1-azacyclotetradecene-4-carboxylate.
What is the SMILES notation for methyl 1-azacyclotetradecene-4-carboxylate?
The canonical SMILES for methyl 1-azacyclotetradecene-4-carboxylate is COC(=O)C1C/C=N/CCCCCCCCCC1.
What is the InChIKey of methyl 1-azacyclotetradecene-4-carboxylate?
The InChIKey is GJGTYBBORRGHAN-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H27NO2/c1-18-15(17)14-10-8-6-4-2-3-5-7-9-12-16-13-11-14/h13-14H,2-12H2,1H3/b16-13+.
What are the key properties of methyl 1-azacyclotetradecene-4-carboxylate?
methyl 1-azacyclotetradecene-4-carboxylate has a molecular weight of 253.39 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-azacyclotetradecene-4-carboxylate is sourced from PubChem (CID 140966957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).