2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione

C8H10N2O3 — CID 4282630

IUPAC2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione
SMILESCN1C(=O)CC2(CNC(=O)C2)C1=O
InChIInChI=1S/C8H10N2O3/c1-10-6(12)3-8(7(10)13)2-5(11)9-4-8/h2-4H2,1H3,(H,9,11)
InChIKeyQPHSKVXBAPEFFT-UHFFFAOYSA-N
MW182.18 g/mol
LogP-1.12
Rot. Bonds

About 2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione

2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione (PubChem CID 4282630) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione.

Molecular Properties

Compound Name2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione
PubChem CID4282630
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione
SMILESCN1C(=O)CC2(CNC(=O)C2)C1=O
InChIInChI=1S/C8H10N2O3/c1-10-6(12)3-8(7(10)13)2-5(11)9-4-8/h2-4H2,1H3,(H,9,11)
InChIKeyQPHSKVXBAPEFFT-UHFFFAOYSA-N
XLogP-1.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione?
The IUPAC name of 2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione (CID 4282630) is 2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione.
What is the SMILES notation for 2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione?
The canonical SMILES for 2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione is CN1C(=O)CC2(CNC(=O)C2)C1=O.
What is the InChIKey of 2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione?
The InChIKey is QPHSKVXBAPEFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-10-6(12)3-8(7(10)13)2-5(11)9-4-8/h2-4H2,1H3,(H,9,11).
What are the key properties of 2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione?
2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione has a molecular weight of 182.18 g/mol, XLogP of -1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione is sourced from PubChem (CID 4282630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).