(8E)-3,14-dioxa-20-azabicyclo[14.3.1]icosa-1(20),8,16,18-tetraene

C17H25NO2 — CID 177463087

IUPAC(8E)-3,14-dioxa-20-azabicyclo[14.3.1]icosa-1(20),8,16,18-tetraene
SMILESC1=C/CCCCOCc2cccc(n2)COCCCC/1
InChIInChI=1S/C17H25NO2/c1-2-4-6-8-13-20-15-17-11-9-10-16(18-17)14-19-12-7-5-3-1/h1-2,9-11H,3-8,12-15H2/b2-1+
InChIKeyHYMFUOVFGUVGGK-OWOJBTEDSA-N
MW275.39 g/mol
LogP4.03
Rot. Bonds

About (8E)-3,14-dioxa-20-azabicyclo[14.3.1]icosa-1(20),8,16,18-tetraene

(8E)-3,14-dioxa-20-azabicyclo[14.3.1]icosa-1(20),8,16,18-tetraene (PubChem CID 177463087) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (8E)-3,14-dioxa-20-azabicyclo[14.3.1]icosa-1(20),8,16,18-tetraene.

Molecular Properties

Compound Name(8E)-3,14-dioxa-20-azabicyclo[14.3.1]icosa-1(20),8,16,18-tetraene
PubChem CID177463087
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(8E)-3,14-dioxa-20-azabicyclo[14.3.1]icosa-1(20),8,16,18-tetraene
SMILESC1=C/CCCCOCc2cccc(n2)COCCCC/1
InChIInChI=1S/C17H25NO2/c1-2-4-6-8-13-20-15-17-11-9-10-16(18-17)14-19-12-7-5-3-1/h1-2,9-11H,3-8,12-15H2/b2-1+
InChIKeyHYMFUOVFGUVGGK-OWOJBTEDSA-N
XLogP4.03
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (8E)-3,14-dioxa-20-azabicyclo[14.3.1]icosa-1(20),8,16,18-tetraene with MolForge

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Related Compounds

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CID 21222299
1-oxacyclotricos-18-ene
CID 57206831
cyclohexene;oxane
CID 158692863
(7E)-1-oxacyclohexadec-7-en-3-one
CID 10705115
(19Z)-10,29-dioxa-3-azoniatricyclo[29.2.2.25,8]heptatriaconta-1(34),5,7,19,31(35),32,36-heptaene
CID 102108484
(14E)-1,5-dioxacyclohexadec-14-en-3-one
CID 176631815
6,9-dioxa-3,18-diazabicyclo[12.3.1]octadeca-1(17),14(18),15-triene
CID 161101695
(5S,13S)-5,13-dimethyl-3,6,9,12,15-pentaoxa-21-azabicyclo[15.3.1]henicosa-1(21),17,19-triene
CID 102505485
cyclobutane;cycloheptane;bis(cyclohexane);cyclopentane;cyclopentene;cyclopropane;oxane
CID 158750848
1-oxacyclohexadeca-7,14-diene
CID 69016364
(18E)-1-oxacycloicos-18-ene
CID 21321167
1-oxacyclohexadec-14-ene
CID 91141688

Frequently Asked Questions

What is the IUPAC name of (8E)-3,14-dioxa-20-azabicyclo[14.3.1]icosa-1(20),8,16,18-tetraene?
The IUPAC name of (8E)-3,14-dioxa-20-azabicyclo[14.3.1]icosa-1(20),8,16,18-tetraene (CID 177463087) is (8E)-3,14-dioxa-20-azabicyclo[14.3.1]icosa-1(20),8,16,18-tetraene.
What is the SMILES notation for (8E)-3,14-dioxa-20-azabicyclo[14.3.1]icosa-1(20),8,16,18-tetraene?
The canonical SMILES for (8E)-3,14-dioxa-20-azabicyclo[14.3.1]icosa-1(20),8,16,18-tetraene is C1=C/CCCCOCc2cccc(n2)COCCCC/1.
What is the InChIKey of (8E)-3,14-dioxa-20-azabicyclo[14.3.1]icosa-1(20),8,16,18-tetraene?
The InChIKey is HYMFUOVFGUVGGK-OWOJBTEDSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-4-6-8-13-20-15-17-11-9-10-16(18-17)14-19-12-7-5-3-1/h1-2,9-11H,3-8,12-15H2/b2-1+.
What are the key properties of (8E)-3,14-dioxa-20-azabicyclo[14.3.1]icosa-1(20),8,16,18-tetraene?
(8E)-3,14-dioxa-20-azabicyclo[14.3.1]icosa-1(20),8,16,18-tetraene has a molecular weight of 275.39 g/mol, XLogP of 4.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-3,14-dioxa-20-azabicyclo[14.3.1]icosa-1(20),8,16,18-tetraene is sourced from PubChem (CID 177463087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).