7-but-3-yn-2-yl-5,7-diazaspiro[2.5]octane-4,6,8-trione

C10H10N2O3 — CID 114421008

IUPAC7-but-3-yn-2-yl-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESC#CC(C)N1C(=O)NC(=O)C2(CC2)C1=O
InChIInChI=1S/C10H10N2O3/c1-3-6(2)12-8(14)10(4-5-10)7(13)11-9(12)15/h1,6H,4-5H2,2H3,(H,11,13,15)
InChIKeyNPNSHXGFFBSZBU-UHFFFAOYSA-N
MW206.20 g/mol
LogP-0.13
Rot. Bonds1

About 7-but-3-yn-2-yl-5,7-diazaspiro[2.5]octane-4,6,8-trione

7-but-3-yn-2-yl-5,7-diazaspiro[2.5]octane-4,6,8-trione (PubChem CID 114421008) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 7-but-3-yn-2-yl-5,7-diazaspiro[2.5]octane-4,6,8-trione.

Molecular Properties

Compound Name7-but-3-yn-2-yl-5,7-diazaspiro[2.5]octane-4,6,8-trione
PubChem CID114421008
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name7-but-3-yn-2-yl-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESC#CC(C)N1C(=O)NC(=O)C2(CC2)C1=O
InChIInChI=1S/C10H10N2O3/c1-3-6(2)12-8(14)10(4-5-10)7(13)11-9(12)15/h1,6H,4-5H2,2H3,(H,11,13,15)
InChIKeyNPNSHXGFFBSZBU-UHFFFAOYSA-N
XLogP-0.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-but-3-yn-2-yl-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 114421001
4-propan-2-yl-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 112598786
9-(3-methylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112598654
7-(4-methoxybutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112600943
9-(4-methylpentan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112599241
7-(1-morpholin-4-ylpropan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115947688
7-(1-cyclopropylbutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112600692
2-(1,3,5-trioxo-2,4-diazaspiro[5.5]undecan-4-yl)propanamide
CID 112599394
3-but-3-yn-2-yl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 114419200
8-[1-(furan-2-yl)ethyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112599303
9-heptan-2-yl-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115947707
4-(1-cyclopropylpropan-2-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 115948275

Frequently Asked Questions

What is the IUPAC name of 7-but-3-yn-2-yl-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The IUPAC name of 7-but-3-yn-2-yl-5,7-diazaspiro[2.5]octane-4,6,8-trione (CID 114421008) is 7-but-3-yn-2-yl-5,7-diazaspiro[2.5]octane-4,6,8-trione.
What is the SMILES notation for 7-but-3-yn-2-yl-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The canonical SMILES for 7-but-3-yn-2-yl-5,7-diazaspiro[2.5]octane-4,6,8-trione is C#CC(C)N1C(=O)NC(=O)C2(CC2)C1=O.
What is the InChIKey of 7-but-3-yn-2-yl-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The InChIKey is NPNSHXGFFBSZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-3-6(2)12-8(14)10(4-5-10)7(13)11-9(12)15/h1,6H,4-5H2,2H3,(H,11,13,15).
What are the key properties of 7-but-3-yn-2-yl-5,7-diazaspiro[2.5]octane-4,6,8-trione?
7-but-3-yn-2-yl-5,7-diazaspiro[2.5]octane-4,6,8-trione has a molecular weight of 206.20 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-but-3-yn-2-yl-5,7-diazaspiro[2.5]octane-4,6,8-trione is sourced from PubChem (CID 114421008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).