7-methyl-1,7-diazaspiro[4.4]nonane-2,4-dione

C8H12N2O2 — CID 164972887

IUPAC7-methyl-1,7-diazaspiro[4.4]nonane-2,4-dione
SMILESCN1CCC2(C1)NC(=O)CC2=O
InChIInChI=1S/C8H12N2O2/c1-10-3-2-8(5-10)6(11)4-7(12)9-8/h2-5H2,1H3,(H,9,12)
InChIKeyIMQYETKFHRTIBD-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.85
Rot. Bonds

About 7-methyl-1,7-diazaspiro[4.4]nonane-2,4-dione

7-methyl-1,7-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 164972887) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 7-methyl-1,7-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name7-methyl-1,7-diazaspiro[4.4]nonane-2,4-dione
PubChem CID164972887
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name7-methyl-1,7-diazaspiro[4.4]nonane-2,4-dione
SMILESCN1CCC2(C1)NC(=O)CC2=O
InChIInChI=1S/C8H12N2O2/c1-10-3-2-8(5-10)6(11)4-7(12)9-8/h2-5H2,1H3,(H,9,12)
InChIKeyIMQYETKFHRTIBD-UHFFFAOYSA-N
XLogP-0.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-2-sulfanylidene-1,3,7-triazaspiro[4.4]nonan-4-one
CID 82996204
2-methyl-2,6,9-triazaspiro[4.5]decane-8,10-dione
CID 130597066
8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrate
CID 154701034
8-methyl-1,8-diazaspiro[3.5]nonan-2-one
CID 169184407
2-iodo-9-methyl-2,6,9-triazaspiro[4.5]decan-1-one
CID 170035585
9-methyl-1,3,9-triazaspiro[4.5]decane-2,4-dione;molecular hydrogen
CID 177033435
5,5-dimethylpyrrolidine-2,4-dione
CID 13346709
2-methyl-2,9-diazaspiro[4.5]decan-6-one
CID 82413175
3-tert-butyl-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 22097463
2,7-dimethyl-2,7-diazaspiro[4.4]nonane;ethane
CID 144510455
3,11-dimethyl-3,7,11,14-tetrazadispiro[5.1.58.26]pentadecane-15-thione
CID 165344788
3-(2-hydroxyethyl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82148756

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,7-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 7-methyl-1,7-diazaspiro[4.4]nonane-2,4-dione (CID 164972887) is 7-methyl-1,7-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 7-methyl-1,7-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 7-methyl-1,7-diazaspiro[4.4]nonane-2,4-dione is CN1CCC2(C1)NC(=O)CC2=O.
What is the InChIKey of 7-methyl-1,7-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is IMQYETKFHRTIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-10-3-2-8(5-10)6(11)4-7(12)9-8/h2-5H2,1H3,(H,9,12).
What are the key properties of 7-methyl-1,7-diazaspiro[4.4]nonane-2,4-dione?
7-methyl-1,7-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 168.20 g/mol, XLogP of -0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,7-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 164972887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).