3-ethenyl-1,3-diazaspiro[4.4]nonane-2,4-dione

C9H12N2O2 — CID 130120413

IUPAC3-ethenyl-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESC=CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C9H12N2O2/c1-2-11-7(12)9(10-8(11)13)5-3-4-6-9/h2H,1,3-6H2,(H,10,13)
InChIKeyMZZWWGLYCCLBRT-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.99
Rot. Bonds1

About 3-ethenyl-1,3-diazaspiro[4.4]nonane-2,4-dione

3-ethenyl-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 130120413) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-ethenyl-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-ethenyl-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID130120413
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-ethenyl-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESC=CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C9H12N2O2/c1-2-11-7(12)9(10-8(11)13)5-3-4-6-9/h2H,1,3-6H2,(H,10,13)
InChIKeyMZZWWGLYCCLBRT-UHFFFAOYSA-N
XLogP0.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-hydroxyethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43509728
3-(2-aminoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18071047
3-(2-hydroxyethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 12866
3-(3-aminopropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 25323207
3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 13436719
3-(3-aminopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18071372
3-(3-hydroxypropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43509729
3-(4-aminobutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride
CID 75481374
15-prop-2-enyl-7,15-diazadispiro[5.1.58.36]hexadecane-14,16-dione
CID 71329902
3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 60666732
3-(2-azidoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 61396486
4-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2,2-dimethylbutanenitrile
CID 65251834

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-ethenyl-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 130120413) is 3-ethenyl-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-ethenyl-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-ethenyl-1,3-diazaspiro[4.4]nonane-2,4-dione is C=CN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 3-ethenyl-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is MZZWWGLYCCLBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-11-7(12)9(10-8(11)13)5-3-4-6-9/h2H,1,3-6H2,(H,10,13).
What are the key properties of 3-ethenyl-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-ethenyl-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 180.21 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 130120413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).