4-oxa-1-azaspiro[5.5]undeca-8,10-diene

C9H13NO — CID 143010370

IUPAC4-oxa-1-azaspiro[5.5]undeca-8,10-diene
SMILESC1=CCC2(C=C1)COCCN2
InChIInChI=1S/C9H13NO/c1-2-4-9(5-3-1)8-11-7-6-10-9/h1-4,10H,5-8H2
InChIKeyUDGPPGKJPLGQPN-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.86
Rot. Bonds

About 4-oxa-1-azaspiro[5.5]undeca-8,10-diene

4-oxa-1-azaspiro[5.5]undeca-8,10-diene (PubChem CID 143010370) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-oxa-1-azaspiro[5.5]undeca-8,10-diene.

Molecular Properties

Compound Name4-oxa-1-azaspiro[5.5]undeca-8,10-diene
PubChem CID143010370
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name4-oxa-1-azaspiro[5.5]undeca-8,10-diene
SMILESC1=CCC2(C=C1)COCCN2
InChIInChI=1S/C9H13NO/c1-2-4-9(5-3-1)8-11-7-6-10-9/h1-4,10H,5-8H2
InChIKeyUDGPPGKJPLGQPN-UHFFFAOYSA-N
XLogP0.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-oxa-1-azaspiro[5.5]undeca-8,10-diene?
The IUPAC name of 4-oxa-1-azaspiro[5.5]undeca-8,10-diene (CID 143010370) is 4-oxa-1-azaspiro[5.5]undeca-8,10-diene.
What is the SMILES notation for 4-oxa-1-azaspiro[5.5]undeca-8,10-diene?
The canonical SMILES for 4-oxa-1-azaspiro[5.5]undeca-8,10-diene is C1=CCC2(C=C1)COCCN2.
What is the InChIKey of 4-oxa-1-azaspiro[5.5]undeca-8,10-diene?
The InChIKey is UDGPPGKJPLGQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-4-9(5-3-1)8-11-7-6-10-9/h1-4,10H,5-8H2.
What are the key properties of 4-oxa-1-azaspiro[5.5]undeca-8,10-diene?
4-oxa-1-azaspiro[5.5]undeca-8,10-diene has a molecular weight of 151.21 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxa-1-azaspiro[5.5]undeca-8,10-diene is sourced from PubChem (CID 143010370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).