9-(3-ethyl-2-methylcyclopentyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione

C16H24N2O3 — CID 115948459

IUPAC9-(3-ethyl-2-methylcyclopentyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESCCC1CCC(N2C(=O)NC(=O)C3(CCCC3)C2=O)C1C
InChIInChI=1S/C16H24N2O3/c1-3-11-6-7-12(10(11)2)18-14(20)16(8-4-5-9-16)13(19)17-15(18)21/h10-12H,3-9H2,1-2H3,(H,17,19,21)
InChIKeyGNGVJADODVZCQK-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.45
Rot. Bonds2

About 9-(3-ethyl-2-methylcyclopentyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione

9-(3-ethyl-2-methylcyclopentyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione (PubChem CID 115948459) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 9-(3-ethyl-2-methylcyclopentyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione.

Molecular Properties

Compound Name9-(3-ethyl-2-methylcyclopentyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
PubChem CID115948459
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name9-(3-ethyl-2-methylcyclopentyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESCCC1CCC(N2C(=O)NC(=O)C3(CCCC3)C2=O)C1C
InChIInChI=1S/C16H24N2O3/c1-3-11-6-7-12(10(11)2)18-14(20)16(8-4-5-9-16)13(19)17-15(18)21/h10-12H,3-9H2,1-2H3,(H,17,19,21)
InChIKeyGNGVJADODVZCQK-UHFFFAOYSA-N
XLogP2.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(3-ethyl-2-methylcyclopentyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The IUPAC name of 9-(3-ethyl-2-methylcyclopentyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione (CID 115948459) is 9-(3-ethyl-2-methylcyclopentyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione.
What is the SMILES notation for 9-(3-ethyl-2-methylcyclopentyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The canonical SMILES for 9-(3-ethyl-2-methylcyclopentyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione is CCC1CCC(N2C(=O)NC(=O)C3(CCCC3)C2=O)C1C.
What is the InChIKey of 9-(3-ethyl-2-methylcyclopentyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The InChIKey is GNGVJADODVZCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-11-6-7-12(10(11)2)18-14(20)16(8-4-5-9-16)13(19)17-15(18)21/h10-12H,3-9H2,1-2H3,(H,17,19,21).
What are the key properties of 9-(3-ethyl-2-methylcyclopentyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
9-(3-ethyl-2-methylcyclopentyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione has a molecular weight of 292.38 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-ethyl-2-methylcyclopentyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione is sourced from PubChem (CID 115948459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).