1-methoxy-10-methyl-1-azaspiro[5.5]undec-9-en-2-one

C12H19NO2 — CID 11148484

IUPAC1-methoxy-10-methyl-1-azaspiro[5.5]undec-9-en-2-one
SMILESCON1C(=O)CCCC12CCC=C(C)C2
InChIInChI=1S/C12H19NO2/c1-10-5-3-7-12(9-10)8-4-6-11(14)13(12)15-2/h5H,3-4,6-9H2,1-2H3
InChIKeyPASWSKMYWODQJI-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.43
Rot. Bonds1

About 1-methoxy-10-methyl-1-azaspiro[5.5]undec-9-en-2-one

1-methoxy-10-methyl-1-azaspiro[5.5]undec-9-en-2-one (PubChem CID 11148484) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-methoxy-10-methyl-1-azaspiro[5.5]undec-9-en-2-one.

Molecular Properties

Compound Name1-methoxy-10-methyl-1-azaspiro[5.5]undec-9-en-2-one
PubChem CID11148484
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-methoxy-10-methyl-1-azaspiro[5.5]undec-9-en-2-one
SMILESCON1C(=O)CCCC12CCC=C(C)C2
InChIInChI=1S/C12H19NO2/c1-10-5-3-7-12(9-10)8-4-6-11(14)13(12)15-2/h5H,3-4,6-9H2,1-2H3
InChIKeyPASWSKMYWODQJI-UHFFFAOYSA-N
XLogP2.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5R,6S)-1-methoxy-5,11-dimethyl-1-azaspiro[5.5]undeca-7,10-diene-2,9-dione
CID 11447683
1-methoxy-6-(2-oxopropyl)-6-[(E)-pent-3-enyl]piperidin-2-one
CID 11817638

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-10-methyl-1-azaspiro[5.5]undec-9-en-2-one?
The IUPAC name of 1-methoxy-10-methyl-1-azaspiro[5.5]undec-9-en-2-one (CID 11148484) is 1-methoxy-10-methyl-1-azaspiro[5.5]undec-9-en-2-one.
What is the SMILES notation for 1-methoxy-10-methyl-1-azaspiro[5.5]undec-9-en-2-one?
The canonical SMILES for 1-methoxy-10-methyl-1-azaspiro[5.5]undec-9-en-2-one is CON1C(=O)CCCC12CCC=C(C)C2.
What is the InChIKey of 1-methoxy-10-methyl-1-azaspiro[5.5]undec-9-en-2-one?
The InChIKey is PASWSKMYWODQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10-5-3-7-12(9-10)8-4-6-11(14)13(12)15-2/h5H,3-4,6-9H2,1-2H3.
What are the key properties of 1-methoxy-10-methyl-1-azaspiro[5.5]undec-9-en-2-one?
1-methoxy-10-methyl-1-azaspiro[5.5]undec-9-en-2-one has a molecular weight of 209.29 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-10-methyl-1-azaspiro[5.5]undec-9-en-2-one is sourced from PubChem (CID 11148484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).