8-azaspiro[4.5]dec-3-en-2-one

C9H13NO — CID 20548252

IUPAC8-azaspiro[4.5]dec-3-en-2-one
SMILESO=C1C=CC2(CCNCC2)C1
InChIInChI=1S/C9H13NO/c11-8-1-2-9(7-8)3-5-10-6-4-9/h1-2,10H,3-7H2
InChIKeyHNITYXOODWPLBU-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.89
Rot. Bonds

About 8-azaspiro[4.5]dec-3-en-2-one

8-azaspiro[4.5]dec-3-en-2-one (PubChem CID 20548252) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 8-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name8-azaspiro[4.5]dec-3-en-2-one
PubChem CID20548252
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name8-azaspiro[4.5]dec-3-en-2-one
SMILESO=C1C=CC2(CCNCC2)C1
InChIInChI=1S/C9H13NO/c11-8-1-2-9(7-8)3-5-10-6-4-9/h1-2,10H,3-7H2
InChIKeyHNITYXOODWPLBU-UHFFFAOYSA-N
XLogP0.89
TPSA29.10 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 ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 8-azaspiro[4.5]dec-3-en-2-one (CID 20548252) is 8-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 8-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 8-azaspiro[4.5]dec-3-en-2-one is O=C1C=CC2(CCNCC2)C1.
What is the InChIKey of 8-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is HNITYXOODWPLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c11-8-1-2-9(7-8)3-5-10-6-4-9/h1-2,10H,3-7H2.
What are the key properties of 8-azaspiro[4.5]dec-3-en-2-one?
8-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 151.21 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 20548252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).