3-cyclohexa-1,3-dien-1-yl-1-oxa-8-azaspiro[4.5]dec-3-ene

C14H19NO — CID 173075838

IUPAC3-cyclohexa-1,3-dien-1-yl-1-oxa-8-azaspiro[4.5]dec-3-ene
SMILESC1=CCCC(C2=CC3(CCNCC3)OC2)=C1
InChIInChI=1S/C14H19NO/c1-2-4-12(5-3-1)13-10-14(16-11-13)6-8-15-9-7-14/h1-2,4,10,15H,3,5-9,11H2
InChIKeyKFGSZNXHTFSBFI-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.34
Rot. Bonds1

About 3-cyclohexa-1,3-dien-1-yl-1-oxa-8-azaspiro[4.5]dec-3-ene

3-cyclohexa-1,3-dien-1-yl-1-oxa-8-azaspiro[4.5]dec-3-ene (PubChem CID 173075838) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-cyclohexa-1,3-dien-1-yl-1-oxa-8-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name3-cyclohexa-1,3-dien-1-yl-1-oxa-8-azaspiro[4.5]dec-3-ene
PubChem CID173075838
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3-cyclohexa-1,3-dien-1-yl-1-oxa-8-azaspiro[4.5]dec-3-ene
SMILESC1=CCCC(C2=CC3(CCNCC3)OC2)=C1
InChIInChI=1S/C14H19NO/c1-2-4-12(5-3-1)13-10-14(16-11-13)6-8-15-9-7-14/h1-2,4,10,15H,3,5-9,11H2
InChIKeyKFGSZNXHTFSBFI-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,3-dien-1-yl-1-oxa-8-azaspiro[4.5]dec-3-ene?
The IUPAC name of 3-cyclohexa-1,3-dien-1-yl-1-oxa-8-azaspiro[4.5]dec-3-ene (CID 173075838) is 3-cyclohexa-1,3-dien-1-yl-1-oxa-8-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for 3-cyclohexa-1,3-dien-1-yl-1-oxa-8-azaspiro[4.5]dec-3-ene?
The canonical SMILES for 3-cyclohexa-1,3-dien-1-yl-1-oxa-8-azaspiro[4.5]dec-3-ene is C1=CCCC(C2=CC3(CCNCC3)OC2)=C1.
What is the InChIKey of 3-cyclohexa-1,3-dien-1-yl-1-oxa-8-azaspiro[4.5]dec-3-ene?
The InChIKey is KFGSZNXHTFSBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-4-12(5-3-1)13-10-14(16-11-13)6-8-15-9-7-14/h1-2,4,10,15H,3,5-9,11H2.
What are the key properties of 3-cyclohexa-1,3-dien-1-yl-1-oxa-8-azaspiro[4.5]dec-3-ene?
3-cyclohexa-1,3-dien-1-yl-1-oxa-8-azaspiro[4.5]dec-3-ene has a molecular weight of 217.31 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,3-dien-1-yl-1-oxa-8-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 173075838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).