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

C13H21NO — CID 145312242

IUPAC(9E,11Z,13E)-14-methyl-3-oxa-8-azaspiro[5.8]tetradeca-9,11,13-triene;molecular hydrogen
SMILESC/C1=C\C=C/C=C/NCC12CCOCC2.[H][H]
InChIInChI=1S/C13H19NO.H2/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;1H/b3-2-,8-4+,12-5+;
InChIKeyOXONRUQZOBDLEC-WZNXCWGVSA-N
MW207.32 g/mol
LogP2.65
Rot. Bonds

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

(9E,11Z,13E)-14-methyl-3-oxa-8-azaspiro[5.8]tetradeca-9,11,13-triene;molecular hydrogen (PubChem CID 145312242) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (9E,11Z,13E)-14-methyl-3-oxa-8-azaspiro[5.8]tetradeca-9,11,13-triene;molecular hydrogen.

Molecular Properties

Compound Name(9E,11Z,13E)-14-methyl-3-oxa-8-azaspiro[5.8]tetradeca-9,11,13-triene;molecular hydrogen
PubChem CID145312242
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(9E,11Z,13E)-14-methyl-3-oxa-8-azaspiro[5.8]tetradeca-9,11,13-triene;molecular hydrogen
SMILESC/C1=C\C=C/C=C/NCC12CCOCC2.[H][H]
InChIInChI=1S/C13H19NO.H2/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;1H/b3-2-,8-4+,12-5+;
InChIKeyOXONRUQZOBDLEC-WZNXCWGVSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (9E,11Z,13E)-14-methyl-3-oxa-8-azaspiro[5.8]tetradeca-9,11,13-triene;molecular hydrogen with MolForge

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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
2-(1-methoxy-3-methylpentan-3-yl)-1H-azepine
CID 174247184
(9E,11Z,13E)-14-methyl-3-oxa-8-azaspiro[5.8]tetradeca-9,11,13-triene
CID 145312243

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;molecular hydrogen?
The IUPAC name of (9E,11Z,13E)-14-methyl-3-oxa-8-azaspiro[5.8]tetradeca-9,11,13-triene;molecular hydrogen (CID 145312242) is (9E,11Z,13E)-14-methyl-3-oxa-8-azaspiro[5.8]tetradeca-9,11,13-triene;molecular hydrogen.
What is the SMILES notation for (9E,11Z,13E)-14-methyl-3-oxa-8-azaspiro[5.8]tetradeca-9,11,13-triene;molecular hydrogen?
The canonical SMILES for (9E,11Z,13E)-14-methyl-3-oxa-8-azaspiro[5.8]tetradeca-9,11,13-triene;molecular hydrogen is C/C1=C\C=C/C=C/NCC12CCOCC2.[H][H].
What is the InChIKey of (9E,11Z,13E)-14-methyl-3-oxa-8-azaspiro[5.8]tetradeca-9,11,13-triene;molecular hydrogen?
The InChIKey is OXONRUQZOBDLEC-WZNXCWGVSA-N. The full InChI is InChI=1S/C13H19NO.H2/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;1H/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;molecular hydrogen?
(9E,11Z,13E)-14-methyl-3-oxa-8-azaspiro[5.8]tetradeca-9,11,13-triene;molecular hydrogen has a molecular weight of 207.32 g/mol, XLogP of 2.65, 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;molecular hydrogen is sourced from PubChem (CID 145312242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).