8-methyl-3-[2-(2-oxocyclopentyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C16H24N2O3 — CID 79577135

IUPAC8-methyl-3-[2-(2-oxocyclopentyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(CCC1CCCC1=O)C2=O
InChIInChI=1S/C16H24N2O3/c1-11-5-8-16(9-6-11)14(20)18(15(21)17-16)10-7-12-3-2-4-13(12)19/h11-12H,2-10H2,1H3,(H,17,21)
InChIKeyQUOWZJHRELZTRC-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.25
Rot. Bonds3

About 8-methyl-3-[2-(2-oxocyclopentyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

8-methyl-3-[2-(2-oxocyclopentyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 79577135) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 8-methyl-3-[2-(2-oxocyclopentyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-methyl-3-[2-(2-oxocyclopentyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID79577135
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name8-methyl-3-[2-(2-oxocyclopentyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(CCC1CCCC1=O)C2=O
InChIInChI=1S/C16H24N2O3/c1-11-5-8-16(9-6-11)14(20)18(15(21)17-16)10-7-12-3-2-4-13(12)19/h11-12H,2-10H2,1H3,(H,17,21)
InChIKeyQUOWZJHRELZTRC-UHFFFAOYSA-N
XLogP2.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-oxocyclopentyl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 79570738
5,5-dimethyl-3-[2-(2-oxocyclopentyl)ethyl]imidazolidine-2,4-dione
CID 79569142
3-(3-hydroxypropyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 43509771
5-methyl-3-[2-(2-oxocyclopentyl)ethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 79570187
3-ethyl-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 60642768
8-methyl-3-(4-oxopentyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 62025169
3-(cyclohexylmethyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7170081
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetaldehyde
CID 62025356
3-[[(2S,6R)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8000634
3-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 11920976
8-methyl-3-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4825972
3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7911185

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[2-(2-oxocyclopentyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-methyl-3-[2-(2-oxocyclopentyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 79577135) is 8-methyl-3-[2-(2-oxocyclopentyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-methyl-3-[2-(2-oxocyclopentyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-methyl-3-[2-(2-oxocyclopentyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCC2(CC1)NC(=O)N(CCC1CCCC1=O)C2=O.
What is the InChIKey of 8-methyl-3-[2-(2-oxocyclopentyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is QUOWZJHRELZTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-5-8-16(9-6-11)14(20)18(15(21)17-16)10-7-12-3-2-4-13(12)19/h11-12H,2-10H2,1H3,(H,17,21).
What are the key properties of 8-methyl-3-[2-(2-oxocyclopentyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
8-methyl-3-[2-(2-oxocyclopentyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 292.38 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[2-(2-oxocyclopentyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 79577135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).