(9E,11Z,13E)-14-methyl-3-oxa-8-azaspiro[5.8]tetradeca-9,11,13-triene

C13H19NO — CID 145312243

IUPAC(9E,11Z,13E)-14-methyl-3-oxa-8-azaspiro[5.8]tetradeca-9,11,13-triene
SMILESC/C1=C\C=C/C=C/NCC12CCOCC2
InChIInChI=1S/C13H19NO/c1-12-5-3-2-4-8-14-11-13(12)6-9-15-10-7-13/h2-5,8,14H,6-7,9-11H2,1H3/b3-2-,8-4+,12-5+
InChIKeyJKCUUESIAIOILN-XQGBOJMWSA-N
MW205.30 g/mol
LogP2.40
Rot. Bonds

About (9E,11Z,13E)-14-methyl-3-oxa-8-azaspiro[5.8]tetradeca-9,11,13-triene

(9E,11Z,13E)-14-methyl-3-oxa-8-azaspiro[5.8]tetradeca-9,11,13-triene (PubChem CID 145312243) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (9E,11Z,13E)-14-methyl-3-oxa-8-azaspiro[5.8]tetradeca-9,11,13-triene.

Molecular Properties

Compound Name(9E,11Z,13E)-14-methyl-3-oxa-8-azaspiro[5.8]tetradeca-9,11,13-triene
PubChem CID145312243
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(9E,11Z,13E)-14-methyl-3-oxa-8-azaspiro[5.8]tetradeca-9,11,13-triene
SMILESC/C1=C\C=C/C=C/NCC12CCOCC2
InChIInChI=1S/C13H19NO/c1-12-5-3-2-4-8-14-11-13(12)6-9-15-10-7-13/h2-5,8,14H,6-7,9-11H2,1H3/b3-2-,8-4+,12-5+
InChIKeyJKCUUESIAIOILN-XQGBOJMWSA-N
XLogP2.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[4-[(3Z)-penta-1,3-dien-2-yl]oxan-4-yl]ethenamine
CID 88543125
1-(4-cyclohexa-1,5-dien-1-yloxan-4-yl)-N-methylmethanamine
CID 143143722
(9E,11Z,13E)-14-methyl-3-oxa-8-azaspiro[5.8]tetradeca-9,11,13-triene;molecular hydrogen
CID 145312242
2-(1-methoxy-3-methylpentan-3-yl)-1H-azepine
CID 174247184

Frequently Asked Questions

What is the IUPAC name of (9E,11Z,13E)-14-methyl-3-oxa-8-azaspiro[5.8]tetradeca-9,11,13-triene?
The IUPAC name of (9E,11Z,13E)-14-methyl-3-oxa-8-azaspiro[5.8]tetradeca-9,11,13-triene (CID 145312243) is (9E,11Z,13E)-14-methyl-3-oxa-8-azaspiro[5.8]tetradeca-9,11,13-triene.
What is the SMILES notation for (9E,11Z,13E)-14-methyl-3-oxa-8-azaspiro[5.8]tetradeca-9,11,13-triene?
The canonical SMILES for (9E,11Z,13E)-14-methyl-3-oxa-8-azaspiro[5.8]tetradeca-9,11,13-triene is C/C1=C\C=C/C=C/NCC12CCOCC2.
What is the InChIKey of (9E,11Z,13E)-14-methyl-3-oxa-8-azaspiro[5.8]tetradeca-9,11,13-triene?
The InChIKey is JKCUUESIAIOILN-XQGBOJMWSA-N. The full InChI is InChI=1S/C13H19NO/c1-12-5-3-2-4-8-14-11-13(12)6-9-15-10-7-13/h2-5,8,14H,6-7,9-11H2,1H3/b3-2-,8-4+,12-5+.
What are the key properties of (9E,11Z,13E)-14-methyl-3-oxa-8-azaspiro[5.8]tetradeca-9,11,13-triene?
(9E,11Z,13E)-14-methyl-3-oxa-8-azaspiro[5.8]tetradeca-9,11,13-triene has a molecular weight of 205.30 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9E,11Z,13E)-14-methyl-3-oxa-8-azaspiro[5.8]tetradeca-9,11,13-triene is sourced from PubChem (CID 145312243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).