9-methyl-2-azaspiro[4.4]nonane-1,3-dione

C9H13NO2 — CID 65047131

IUPAC9-methyl-2-azaspiro[4.4]nonane-1,3-dione
SMILESCC1CCCC12CC(=O)NC2=O
InChIInChI=1S/C9H13NO2/c1-6-3-2-4-9(6)5-7(11)10-8(9)12/h6H,2-5H2,1H3,(H,10,11,12)
InChIKeySHTTVCIKMAXWIV-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.84
Rot. Bonds

About 9-methyl-2-azaspiro[4.4]nonane-1,3-dione

9-methyl-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 65047131) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 9-methyl-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name9-methyl-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID65047131
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name9-methyl-2-azaspiro[4.4]nonane-1,3-dione
SMILESCC1CCCC12CC(=O)NC2=O
InChIInChI=1S/C9H13NO2/c1-6-3-2-4-9(6)5-7(11)10-8(9)12/h6H,2-5H2,1H3,(H,10,11,12)
InChIKeySHTTVCIKMAXWIV-UHFFFAOYSA-N
XLogP0.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 9-methyl-2-azaspiro[4.4]nonane-1,3-dione (CID 65047131) is 9-methyl-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 9-methyl-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 9-methyl-2-azaspiro[4.4]nonane-1,3-dione is CC1CCCC12CC(=O)NC2=O.
What is the InChIKey of 9-methyl-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is SHTTVCIKMAXWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6-3-2-4-9(6)5-7(11)10-8(9)12/h6H,2-5H2,1H3,(H,10,11,12).
What are the key properties of 9-methyl-2-azaspiro[4.4]nonane-1,3-dione?
9-methyl-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 167.21 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 65047131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).