1-methyl-1-azaspiro[4.4]nonane-2,4-dione

C9H13NO2 — CID 14507935

IUPAC1-methyl-1-azaspiro[4.4]nonane-2,4-dione
SMILESCN1C(=O)CC(=O)C12CCCC2
InChIInChI=1S/C9H13NO2/c1-10-8(12)6-7(11)9(10)4-2-3-5-9/h2-6H2,1H3
InChIKeyFOOCNMLFLJGNAR-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.73
Rot. Bonds

About 1-methyl-1-azaspiro[4.4]nonane-2,4-dione

1-methyl-1-azaspiro[4.4]nonane-2,4-dione (PubChem CID 14507935) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-methyl-1-azaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name1-methyl-1-azaspiro[4.4]nonane-2,4-dione
PubChem CID14507935
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-methyl-1-azaspiro[4.4]nonane-2,4-dione
SMILESCN1C(=O)CC(=O)C12CCCC2
InChIInChI=1S/C9H13NO2/c1-10-8(12)6-7(11)9(10)4-2-3-5-9/h2-6H2,1H3
InChIKeyFOOCNMLFLJGNAR-UHFFFAOYSA-N
XLogP0.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-1-azaspiro[4.4]nonane-2,4-dione
CID 141096346
1-methyl-1-azaspiro[4.6]undecan-4-one
CID 18468802
1-methyl-4-methylidene-3-oxa-1-azaspiro[4.4]nonan-2-one
CID 123782163
4-methyl-4,7-diazaspiro[2.5]octane-5,8-dione
CID 66936393
5-methyl-6,6-dioxo-6λ6-thia-5-azaspiro[3.4]octan-8-one
CID 99989118
2-bromo-5-methylspiro[7H-thieno[3,2-c]pyridine-4,1'-cyclopropane]-6-one
CID 84713299
1,6,6-trimethylpiperidine-2,4-dione
CID 14800180
1-methyl-1,4-diazaspiro[5.7]tridecane-3,5-dione
CID 53388991
N-[(3Z)-3-(1-hydroxyethylidene)-1-methyl-2-oxo-1-azaspiro[4.4]nonan-4-ylidene]butanamide
CID 136679925
1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dithione
CID 171384862
8-cyclohexyl-6-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64885846
5-methyl-1-thia-5-azaspiro[5.5]undecan-4-one
CID 91280510

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-azaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 1-methyl-1-azaspiro[4.4]nonane-2,4-dione (CID 14507935) is 1-methyl-1-azaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 1-methyl-1-azaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 1-methyl-1-azaspiro[4.4]nonane-2,4-dione is CN1C(=O)CC(=O)C12CCCC2.
What is the InChIKey of 1-methyl-1-azaspiro[4.4]nonane-2,4-dione?
The InChIKey is FOOCNMLFLJGNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-10-8(12)6-7(11)9(10)4-2-3-5-9/h2-6H2,1H3.
What are the key properties of 1-methyl-1-azaspiro[4.4]nonane-2,4-dione?
1-methyl-1-azaspiro[4.4]nonane-2,4-dione has a molecular weight of 167.21 g/mol, XLogP of 0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-azaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 14507935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).