(7Z,10Z)-5-propyl-1-oxa-4-azacyclopentadeca-7,10-dien-15-one

C16H27NO2 — CID 11054583

IUPAC(7Z,10Z)-5-propyl-1-oxa-4-azacyclopentadeca-7,10-dien-15-one
SMILESCCCC1C/C=C\C/C=C\CCCC(=O)OCCN1
InChIInChI=1S/C16H27NO2/c1-2-10-15-11-8-6-4-3-5-7-9-12-16(18)19-14-13-17-15/h3,5-6,8,15,17H,2,4,7,9-14H2,1H3/b5-3-,8-6-
InChIKeyBXYITUWPJTZYAS-NIOMPZRHSA-N
MW265.40 g/mol
LogP3.36
Rot. Bonds2

About (7Z,10Z)-5-propyl-1-oxa-4-azacyclopentadeca-7,10-dien-15-one

(7Z,10Z)-5-propyl-1-oxa-4-azacyclopentadeca-7,10-dien-15-one (PubChem CID 11054583) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is (7Z,10Z)-5-propyl-1-oxa-4-azacyclopentadeca-7,10-dien-15-one.

Molecular Properties

Compound Name(7Z,10Z)-5-propyl-1-oxa-4-azacyclopentadeca-7,10-dien-15-one
PubChem CID11054583
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name(7Z,10Z)-5-propyl-1-oxa-4-azacyclopentadeca-7,10-dien-15-one
SMILESCCCC1C/C=C\C/C=C\CCCC(=O)OCCN1
InChIInChI=1S/C16H27NO2/c1-2-10-15-11-8-6-4-3-5-7-9-12-16(18)19-14-13-17-15/h3,5-6,8,15,17H,2,4,7,9-14H2,1H3/b5-3-,8-6-
InChIKeyBXYITUWPJTZYAS-NIOMPZRHSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7Z,10Z)-5-propyl-1-oxa-4-azacyclopentadeca-7,10-dien-15-one?
The IUPAC name of (7Z,10Z)-5-propyl-1-oxa-4-azacyclopentadeca-7,10-dien-15-one (CID 11054583) is (7Z,10Z)-5-propyl-1-oxa-4-azacyclopentadeca-7,10-dien-15-one.
What is the SMILES notation for (7Z,10Z)-5-propyl-1-oxa-4-azacyclopentadeca-7,10-dien-15-one?
The canonical SMILES for (7Z,10Z)-5-propyl-1-oxa-4-azacyclopentadeca-7,10-dien-15-one is CCCC1C/C=C\C/C=C\CCCC(=O)OCCN1.
What is the InChIKey of (7Z,10Z)-5-propyl-1-oxa-4-azacyclopentadeca-7,10-dien-15-one?
The InChIKey is BXYITUWPJTZYAS-NIOMPZRHSA-N. The full InChI is InChI=1S/C16H27NO2/c1-2-10-15-11-8-6-4-3-5-7-9-12-16(18)19-14-13-17-15/h3,5-6,8,15,17H,2,4,7,9-14H2,1H3/b5-3-,8-6-.
What are the key properties of (7Z,10Z)-5-propyl-1-oxa-4-azacyclopentadeca-7,10-dien-15-one?
(7Z,10Z)-5-propyl-1-oxa-4-azacyclopentadeca-7,10-dien-15-one has a molecular weight of 265.40 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,10Z)-5-propyl-1-oxa-4-azacyclopentadeca-7,10-dien-15-one is sourced from PubChem (CID 11054583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).