8-methyl-2-oxa-5-azaspiro[3.5]nona-6,8-diene

C8H11NO — CID 166553139

IUPAC8-methyl-2-oxa-5-azaspiro[3.5]nona-6,8-diene
SMILESCC1=CC2(COC2)NC=C1
InChIInChI=1S/C8H11NO/c1-7-2-3-9-8(4-7)5-10-6-8/h2-4,9H,5-6H2,1H3
InChIKeyZLZFTZXWEHGQKH-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.82
Rot. Bonds

About 8-methyl-2-oxa-5-azaspiro[3.5]nona-6,8-diene

8-methyl-2-oxa-5-azaspiro[3.5]nona-6,8-diene (PubChem CID 166553139) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 8-methyl-2-oxa-5-azaspiro[3.5]nona-6,8-diene.

Molecular Properties

Compound Name8-methyl-2-oxa-5-azaspiro[3.5]nona-6,8-diene
PubChem CID166553139
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name8-methyl-2-oxa-5-azaspiro[3.5]nona-6,8-diene
SMILESCC1=CC2(COC2)NC=C1
InChIInChI=1S/C8H11NO/c1-7-2-3-9-8(4-7)5-10-6-8/h2-4,9H,5-6H2,1H3
InChIKeyZLZFTZXWEHGQKH-UHFFFAOYSA-N
XLogP0.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-oxa-5-azaspiro[3.5]nona-6,8-diene?
The IUPAC name of 8-methyl-2-oxa-5-azaspiro[3.5]nona-6,8-diene (CID 166553139) is 8-methyl-2-oxa-5-azaspiro[3.5]nona-6,8-diene.
What is the SMILES notation for 8-methyl-2-oxa-5-azaspiro[3.5]nona-6,8-diene?
The canonical SMILES for 8-methyl-2-oxa-5-azaspiro[3.5]nona-6,8-diene is CC1=CC2(COC2)NC=C1.
What is the InChIKey of 8-methyl-2-oxa-5-azaspiro[3.5]nona-6,8-diene?
The InChIKey is ZLZFTZXWEHGQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-7-2-3-9-8(4-7)5-10-6-8/h2-4,9H,5-6H2,1H3.
What are the key properties of 8-methyl-2-oxa-5-azaspiro[3.5]nona-6,8-diene?
8-methyl-2-oxa-5-azaspiro[3.5]nona-6,8-diene has a molecular weight of 137.18 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-oxa-5-azaspiro[3.5]nona-6,8-diene is sourced from PubChem (CID 166553139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).