9-benzyl-2-methyl-7-azaspiro[3.5]nonane-6,8-dione

C16H19NO2 — CID 103565591

IUPAC9-benzyl-2-methyl-7-azaspiro[3.5]nonane-6,8-dione
SMILESCC1CC2(CC(=O)NC(=O)C2Cc2ccccc2)C1
InChIInChI=1S/C16H19NO2/c1-11-8-16(9-11)10-14(18)17-15(19)13(16)7-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,17,18,19)
InChIKeyQQEJJGJTXJMFIK-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.31
Rot. Bonds2

About 9-benzyl-2-methyl-7-azaspiro[3.5]nonane-6,8-dione

9-benzyl-2-methyl-7-azaspiro[3.5]nonane-6,8-dione (PubChem CID 103565591) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 9-benzyl-2-methyl-7-azaspiro[3.5]nonane-6,8-dione.

Molecular Properties

Compound Name9-benzyl-2-methyl-7-azaspiro[3.5]nonane-6,8-dione
PubChem CID103565591
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name9-benzyl-2-methyl-7-azaspiro[3.5]nonane-6,8-dione
SMILESCC1CC2(CC(=O)NC(=O)C2Cc2ccccc2)C1
InChIInChI=1S/C16H19NO2/c1-11-8-16(9-11)10-14(18)17-15(19)13(16)7-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,17,18,19)
InChIKeyQQEJJGJTXJMFIK-UHFFFAOYSA-N
XLogP2.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-benzyl-2-methyl-7-azaspiro[3.5]nonane-6,8-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-benzyl-7-azaspiro[3.5]nonane-6,8-dione
CID 79317706
3-benzyl-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione
CID 79317625
3-benzyl-4-cyclopropyl-4-ethylpiperidine-2,6-dione
CID 79318412
2-benzyl-11-methyl-2,9-diazaspiro[5.5]undecane-8,10-dione
CID 79309828
3-benzyl-4-methylazetidin-2-one
CID 55255467
5-benzyl-2-ethoxy-6-azaspiro[3.4]octan-7-one
CID 106824684
1-benzyl-7-methoxy-2-azaspiro[4.5]decan-3-one
CID 106874746
4-benzyl-3-ethylazetidin-2-one
CID 85185683
(5R)-4-benzyl-5-methylpyrrolidin-2-one
CID 154981425
1-benzyl-7,7-dimethyl-9-thia-2-azaspiro[4.5]decan-3-one
CID 79946327
5-benzyl-8,10,10-trimethyl-3-azaspiro[5.5]undecane
CID 79310597
9-methyl-5-(2-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 79424608

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-2-methyl-7-azaspiro[3.5]nonane-6,8-dione?
The IUPAC name of 9-benzyl-2-methyl-7-azaspiro[3.5]nonane-6,8-dione (CID 103565591) is 9-benzyl-2-methyl-7-azaspiro[3.5]nonane-6,8-dione.
What is the SMILES notation for 9-benzyl-2-methyl-7-azaspiro[3.5]nonane-6,8-dione?
The canonical SMILES for 9-benzyl-2-methyl-7-azaspiro[3.5]nonane-6,8-dione is CC1CC2(CC(=O)NC(=O)C2Cc2ccccc2)C1.
What is the InChIKey of 9-benzyl-2-methyl-7-azaspiro[3.5]nonane-6,8-dione?
The InChIKey is QQEJJGJTXJMFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-8-16(9-11)10-14(18)17-15(19)13(16)7-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,17,18,19).
What are the key properties of 9-benzyl-2-methyl-7-azaspiro[3.5]nonane-6,8-dione?
9-benzyl-2-methyl-7-azaspiro[3.5]nonane-6,8-dione has a molecular weight of 257.33 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-2-methyl-7-azaspiro[3.5]nonane-6,8-dione is sourced from PubChem (CID 103565591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).