(10E)-5-ethyl-1-oxa-4-azacyclopentadec-10-en-15-one

C15H27NO2 — CID 15314946

IUPAC(10E)-5-ethyl-1-oxa-4-azacyclopentadec-10-en-15-one
SMILESCCC1CCCC/C=C/CCCC(=O)OCCN1
InChIInChI=1S/C15H27NO2/c1-2-14-10-8-6-4-3-5-7-9-11-15(17)18-13-12-16-14/h3,5,14,16H,2,4,6-13H2,1H3/b5-3+
InChIKeyILLFGFHQCXJETF-HWKANZROSA-N
MW253.39 g/mol
LogP3.20
Rot. Bonds1

About (10E)-5-ethyl-1-oxa-4-azacyclopentadec-10-en-15-one

(10E)-5-ethyl-1-oxa-4-azacyclopentadec-10-en-15-one (PubChem CID 15314946) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (10E)-5-ethyl-1-oxa-4-azacyclopentadec-10-en-15-one.

Molecular Properties

Compound Name(10E)-5-ethyl-1-oxa-4-azacyclopentadec-10-en-15-one
PubChem CID15314946
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(10E)-5-ethyl-1-oxa-4-azacyclopentadec-10-en-15-one
SMILESCCC1CCCC/C=C/CCCC(=O)OCCN1
InChIInChI=1S/C15H27NO2/c1-2-14-10-8-6-4-3-5-7-9-11-15(17)18-13-12-16-14/h3,5,14,16H,2,4,6-13H2,1H3/b5-3+
InChIKeyILLFGFHQCXJETF-HWKANZROSA-N
XLogP3.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 91371915
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CID 11054583
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CID 11402911
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CID 13629467
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CID 17846723
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Frequently Asked Questions

What is the IUPAC name of (10E)-5-ethyl-1-oxa-4-azacyclopentadec-10-en-15-one?
The IUPAC name of (10E)-5-ethyl-1-oxa-4-azacyclopentadec-10-en-15-one (CID 15314946) is (10E)-5-ethyl-1-oxa-4-azacyclopentadec-10-en-15-one.
What is the SMILES notation for (10E)-5-ethyl-1-oxa-4-azacyclopentadec-10-en-15-one?
The canonical SMILES for (10E)-5-ethyl-1-oxa-4-azacyclopentadec-10-en-15-one is CCC1CCCC/C=C/CCCC(=O)OCCN1.
What is the InChIKey of (10E)-5-ethyl-1-oxa-4-azacyclopentadec-10-en-15-one?
The InChIKey is ILLFGFHQCXJETF-HWKANZROSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-14-10-8-6-4-3-5-7-9-11-15(17)18-13-12-16-14/h3,5,14,16H,2,4,6-13H2,1H3/b5-3+.
What are the key properties of (10E)-5-ethyl-1-oxa-4-azacyclopentadec-10-en-15-one?
(10E)-5-ethyl-1-oxa-4-azacyclopentadec-10-en-15-one has a molecular weight of 253.39 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10E)-5-ethyl-1-oxa-4-azacyclopentadec-10-en-15-one is sourced from PubChem (CID 15314946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).