7-methyl-2,7-diazaspiro[3.5]nonane-3,6-dione

C8H12N2O2 — CID 139382671

IUPAC7-methyl-2,7-diazaspiro[3.5]nonane-3,6-dione
SMILESCN1CCC2(CNC2=O)CC1=O
InChIInChI=1S/C8H12N2O2/c1-10-3-2-8(4-6(10)11)5-9-7(8)12/h2-5H2,1H3,(H,9,12)
InChIKeyKUXFLOYYNPYRAY-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.65
Rot. Bonds

About 7-methyl-2,7-diazaspiro[3.5]nonane-3,6-dione

7-methyl-2,7-diazaspiro[3.5]nonane-3,6-dione (PubChem CID 139382671) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 7-methyl-2,7-diazaspiro[3.5]nonane-3,6-dione.

Molecular Properties

Compound Name7-methyl-2,7-diazaspiro[3.5]nonane-3,6-dione
PubChem CID139382671
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name7-methyl-2,7-diazaspiro[3.5]nonane-3,6-dione
SMILESCN1CCC2(CNC2=O)CC1=O
InChIInChI=1S/C8H12N2O2/c1-10-3-2-8(4-6(10)11)5-9-7(8)12/h2-5H2,1H3,(H,9,12)
InChIKeyKUXFLOYYNPYRAY-UHFFFAOYSA-N
XLogP-0.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,7-diazaspiro[3.5]nonane-3,6-dione?
The IUPAC name of 7-methyl-2,7-diazaspiro[3.5]nonane-3,6-dione (CID 139382671) is 7-methyl-2,7-diazaspiro[3.5]nonane-3,6-dione.
What is the SMILES notation for 7-methyl-2,7-diazaspiro[3.5]nonane-3,6-dione?
The canonical SMILES for 7-methyl-2,7-diazaspiro[3.5]nonane-3,6-dione is CN1CCC2(CNC2=O)CC1=O.
What is the InChIKey of 7-methyl-2,7-diazaspiro[3.5]nonane-3,6-dione?
The InChIKey is KUXFLOYYNPYRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-10-3-2-8(4-6(10)11)5-9-7(8)12/h2-5H2,1H3,(H,9,12).
What are the key properties of 7-methyl-2,7-diazaspiro[3.5]nonane-3,6-dione?
7-methyl-2,7-diazaspiro[3.5]nonane-3,6-dione has a molecular weight of 168.20 g/mol, XLogP of -0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,7-diazaspiro[3.5]nonane-3,6-dione is sourced from PubChem (CID 139382671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).