3-(2-hydroxyethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione

C12H20N2O3 — CID 43509728

IUPAC3-(2-hydroxyethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESO=C1NC2(CCCCCCC2)C(=O)N1CCO
InChIInChI=1S/C12H20N2O3/c15-9-8-14-10(16)12(13-11(14)17)6-4-2-1-3-5-7-12/h15H,1-9H2,(H,13,17)
InChIKeyAQZBYHCLZBXLEL-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.01
Rot. Bonds2

About 3-(2-hydroxyethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione

3-(2-hydroxyethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione (PubChem CID 43509728) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
PubChem CID43509728
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-(2-hydroxyethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESO=C1NC2(CCCCCCC2)C(=O)N1CCO
InChIInChI=1S/C12H20N2O3/c15-9-8-14-10(16)12(13-11(14)17)6-4-2-1-3-5-7-12/h15H,1-9H2,(H,13,17)
InChIKeyAQZBYHCLZBXLEL-UHFFFAOYSA-N
XLogP1.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-hydroxyethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 12866
3-(3-hydroxypropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43509729
3-(2-hydroxyethyl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82148756
3-(2-aminoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18071047
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
3-(3-aminopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18071372
3-(4-oxopentyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 62019381
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-(2-hydroxyethyl)-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 151331542
3-(3-oxo-3-piperidin-1-ylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 35809666

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The IUPAC name of 3-(2-hydroxyethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione (CID 43509728) is 3-(2-hydroxyethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione.
What is the SMILES notation for 3-(2-hydroxyethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The canonical SMILES for 3-(2-hydroxyethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione is O=C1NC2(CCCCCCC2)C(=O)N1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The InChIKey is AQZBYHCLZBXLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-9-8-14-10(16)12(13-11(14)17)6-4-2-1-3-5-7-12/h15H,1-9H2,(H,13,17).
What are the key properties of 3-(2-hydroxyethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione?
3-(2-hydroxyethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione has a molecular weight of 240.30 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione is sourced from PubChem (CID 43509728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).