4-methylidene-8-azaspiro[4.5]decan-2-one

C10H15NO — CID 19887356

IUPAC4-methylidene-8-azaspiro[4.5]decan-2-one
SMILESC=C1CC(=O)CC12CCNCC2
InChIInChI=1S/C10H15NO/c1-8-6-9(12)7-10(8)2-4-11-5-3-10/h11H,1-7H2
InChIKeyGEMSTPWCYFPJOS-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.28
Rot. Bonds

About 4-methylidene-8-azaspiro[4.5]decan-2-one

4-methylidene-8-azaspiro[4.5]decan-2-one (PubChem CID 19887356) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-methylidene-8-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-methylidene-8-azaspiro[4.5]decan-2-one
PubChem CID19887356
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4-methylidene-8-azaspiro[4.5]decan-2-one
SMILESC=C1CC(=O)CC12CCNCC2
InChIInChI=1S/C10H15NO/c1-8-6-9(12)7-10(8)2-4-11-5-3-10/h11H,1-7H2
InChIKeyGEMSTPWCYFPJOS-UHFFFAOYSA-N
XLogP1.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-methylidene-8-azaspiro[4.5]decan-2-one?
The IUPAC name of 4-methylidene-8-azaspiro[4.5]decan-2-one (CID 19887356) is 4-methylidene-8-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-methylidene-8-azaspiro[4.5]decan-2-one?
The canonical SMILES for 4-methylidene-8-azaspiro[4.5]decan-2-one is C=C1CC(=O)CC12CCNCC2.
What is the InChIKey of 4-methylidene-8-azaspiro[4.5]decan-2-one?
The InChIKey is GEMSTPWCYFPJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8-6-9(12)7-10(8)2-4-11-5-3-10/h11H,1-7H2.
What are the key properties of 4-methylidene-8-azaspiro[4.5]decan-2-one?
4-methylidene-8-azaspiro[4.5]decan-2-one has a molecular weight of 165.24 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-8-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 19887356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).