9-(2-oxopropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione

C10H14N2O3 — CID 20798883

IUPAC9-(2-oxopropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCC(=O)CC1CCCC12NC(=O)NC2=O
InChIInChI=1S/C10H14N2O3/c1-6(13)5-7-3-2-4-10(7)8(14)11-9(15)12-10/h7H,2-5H2,1H3,(H2,11,12,14,15)
InChIKeyGNQSLNCCZCYYTR-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.34
Rot. Bonds2

About 9-(2-oxopropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione

9-(2-oxopropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 20798883) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 9-(2-oxopropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name9-(2-oxopropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID20798883
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name9-(2-oxopropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCC(=O)CC1CCCC12NC(=O)NC2=O
InChIInChI=1S/C10H14N2O3/c1-6(13)5-7-3-2-4-10(7)8(14)11-9(15)12-10/h7H,2-5H2,1H3,(H2,11,12,14,15)
InChIKeyGNQSLNCCZCYYTR-UHFFFAOYSA-N
XLogP0.34
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(2-oxopropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 9-(2-oxopropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 20798883) is 9-(2-oxopropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 9-(2-oxopropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 9-(2-oxopropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione is CC(=O)CC1CCCC12NC(=O)NC2=O.
What is the InChIKey of 9-(2-oxopropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is GNQSLNCCZCYYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6(13)5-7-3-2-4-10(7)8(14)11-9(15)12-10/h7H,2-5H2,1H3,(H2,11,12,14,15).
What are the key properties of 9-(2-oxopropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
9-(2-oxopropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 210.23 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-oxopropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 20798883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).