ethane;1,4,9-triazaspiro[5.5]undecane-2,5-dione

C10H19N3O2 — CID 142838898

IUPACethane;1,4,9-triazaspiro[5.5]undecane-2,5-dione
SMILESCC.O=C1CNC(=O)C2(CCNCC2)N1
InChIInChI=1S/C8H13N3O2.C2H6/c12-6-5-10-7(13)8(11-6)1-3-9-4-2-8;1-2/h9H,1-5H2,(H,10,13)(H,11,12);1-2H3
InChIKeyIIQPGLUCFCLONP-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.62
Rot. Bonds

About ethane;1,4,9-triazaspiro[5.5]undecane-2,5-dione

ethane;1,4,9-triazaspiro[5.5]undecane-2,5-dione (PubChem CID 142838898) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethane;1,4,9-triazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Nameethane;1,4,9-triazaspiro[5.5]undecane-2,5-dione
PubChem CID142838898
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Nameethane;1,4,9-triazaspiro[5.5]undecane-2,5-dione
SMILESCC.O=C1CNC(=O)C2(CCNCC2)N1
InChIInChI=1S/C8H13N3O2.C2H6/c12-6-5-10-7(13)8(11-6)1-3-9-4-2-8;1-2/h9H,1-5H2,(H,10,13)(H,11,12);1-2H3
InChIKeyIIQPGLUCFCLONP-UHFFFAOYSA-N
XLogP-0.62
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 66741717
1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride
CID 86812140
3,9-diazaspiro[5.5]undecane-2,5-dione
CID 59929903
7,7-dimethyl-1,4-diazepan-2-one;molecular hydrogen
CID 143599230
(3R)-3-ethyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 176953118
1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 71356739
aziridin-2-one
CID 158991665
3,9-diazaspiro[5.6]dodecan-10-one
CID 52644115
(4R)-1,6-diazaspiro[3.3]heptan-7-one
CID 171035437
5,10-diazadispiro[2.2.26.23]decane-4,9-dione
CID 67427050
1,3,8-triazaspiro[4.5]decane-2,4-dione;2,2,2-trifluoroacetic acid
CID 68564691
ethane;imidazolidine-2,4-dione
CID 90911393

Frequently Asked Questions

What is the IUPAC name of ethane;1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of ethane;1,4,9-triazaspiro[5.5]undecane-2,5-dione (CID 142838898) is ethane;1,4,9-triazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for ethane;1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for ethane;1,4,9-triazaspiro[5.5]undecane-2,5-dione is CC.O=C1CNC(=O)C2(CCNCC2)N1.
What is the InChIKey of ethane;1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The InChIKey is IIQPGLUCFCLONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2.C2H6/c12-6-5-10-7(13)8(11-6)1-3-9-4-2-8;1-2/h9H,1-5H2,(H,10,13)(H,11,12);1-2H3.
What are the key properties of ethane;1,4,9-triazaspiro[5.5]undecane-2,5-dione?
ethane;1,4,9-triazaspiro[5.5]undecane-2,5-dione has a molecular weight of 213.28 g/mol, XLogP of -0.62, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,4,9-triazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 142838898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).