7-azaspiro[4.5]dec-2-en-6-one

C9H13NO — CID 122663404

IUPAC7-azaspiro[4.5]dec-2-en-6-one
SMILESO=C1NCCCC12CC=CC2
InChIInChI=1S/C9H13NO/c11-8-9(4-1-2-5-9)6-3-7-10-8/h1-2H,3-7H2,(H,10,11)
InChIKeyUVKLPXTWPDAFIY-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.23
Rot. Bonds

About 7-azaspiro[4.5]dec-2-en-6-one

7-azaspiro[4.5]dec-2-en-6-one (PubChem CID 122663404) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 7-azaspiro[4.5]dec-2-en-6-one.

Molecular Properties

Compound Name7-azaspiro[4.5]dec-2-en-6-one
PubChem CID122663404
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name7-azaspiro[4.5]dec-2-en-6-one
SMILESO=C1NCCCC12CC=CC2
InChIInChI=1S/C9H13NO/c11-8-9(4-1-2-5-9)6-3-7-10-8/h1-2H,3-7H2,(H,10,11)
InChIKeyUVKLPXTWPDAFIY-UHFFFAOYSA-N
XLogP1.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-azaspiro[4.5]dec-2-en-6-one?
The IUPAC name of 7-azaspiro[4.5]dec-2-en-6-one (CID 122663404) is 7-azaspiro[4.5]dec-2-en-6-one.
What is the SMILES notation for 7-azaspiro[4.5]dec-2-en-6-one?
The canonical SMILES for 7-azaspiro[4.5]dec-2-en-6-one is O=C1NCCCC12CC=CC2.
What is the InChIKey of 7-azaspiro[4.5]dec-2-en-6-one?
The InChIKey is UVKLPXTWPDAFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c11-8-9(4-1-2-5-9)6-3-7-10-8/h1-2H,3-7H2,(H,10,11).
What are the key properties of 7-azaspiro[4.5]dec-2-en-6-one?
7-azaspiro[4.5]dec-2-en-6-one has a molecular weight of 151.21 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azaspiro[4.5]dec-2-en-6-one is sourced from PubChem (CID 122663404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).