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

C9H13NO — CID 140995661

IUPAC7-azaspiro[4.5]dec-3-en-2-one
SMILESO=C1C=CC2(CCCNC2)C1
InChIInChI=1S/C9H13NO/c11-8-2-4-9(6-8)3-1-5-10-7-9/h2,4,10H,1,3,5-7H2
InChIKeyJUDQKUPAIJOJEV-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.89
Rot. Bonds

About 7-azaspiro[4.5]dec-3-en-2-one

7-azaspiro[4.5]dec-3-en-2-one (PubChem CID 140995661) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 7-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name7-azaspiro[4.5]dec-3-en-2-one
PubChem CID140995661
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name7-azaspiro[4.5]dec-3-en-2-one
SMILESO=C1C=CC2(CCCNC2)C1
InChIInChI=1S/C9H13NO/c11-8-2-4-9(6-8)3-1-5-10-7-9/h2,4,10H,1,3,5-7H2
InChIKeyJUDQKUPAIJOJEV-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 7-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 7-azaspiro[4.5]dec-3-en-2-one (CID 140995661) is 7-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 7-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 7-azaspiro[4.5]dec-3-en-2-one is O=C1C=CC2(CCCNC2)C1.
What is the InChIKey of 7-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is JUDQKUPAIJOJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c11-8-2-4-9(6-8)3-1-5-10-7-9/h2,4,10H,1,3,5-7H2.
What are the key properties of 7-azaspiro[4.5]dec-3-en-2-one?
7-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 7-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 140995661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).