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

C14H22N2O3 — CID 4825972

IUPAC8-methyl-3-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(CC1CCCO1)C2=O
InChIInChI=1S/C14H22N2O3/c1-10-4-6-14(7-5-10)12(17)16(13(18)15-14)9-11-3-2-8-19-11/h10-11H,2-9H2,1H3,(H,15,18)
InChIKeyKWZTZCLNHGAOFO-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.67
Rot. Bonds2

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

8-methyl-3-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 4825972) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 8-methyl-3-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-methyl-3-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID4825972
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name8-methyl-3-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(CC1CCCO1)C2=O
InChIInChI=1S/C14H22N2O3/c1-10-4-6-14(7-5-10)12(17)16(13(18)15-14)9-11-3-2-8-19-11/h10-11H,2-9H2,1H3,(H,15,18)
InChIKeyKWZTZCLNHGAOFO-UHFFFAOYSA-N
XLogP1.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.67
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-[[(2S)-oxan-2-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 41176811
3-(cyclohexylmethyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7170081
3-ethyl-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 60642768
(5S)-5-methyl-3-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 124881230
8-methyl-3-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 26012278
3-[(2,2-dichlorocyclopropyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4884645
3-(morpholin-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 64532844
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetaldehyde
CID 62025356
[2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 41306120
5-(4-tert-butylphenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidine-2,4-dione
CID 112774193
11-(oxolan-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64881995
3-[[(2S,6R)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8000634

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-methyl-3-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione (CID 4825972) is 8-methyl-3-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-methyl-3-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-methyl-3-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCC2(CC1)NC(=O)N(CC1CCCO1)C2=O.
What is the InChIKey of 8-methyl-3-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is KWZTZCLNHGAOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10-4-6-14(7-5-10)12(17)16(13(18)15-14)9-11-3-2-8-19-11/h10-11H,2-9H2,1H3,(H,15,18).
What are the key properties of 8-methyl-3-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
8-methyl-3-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 266.34 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 4825972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).