3-chloro-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione

C18H22ClNO2 — CID 139825783

IUPAC3-chloro-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione
SMILESCc1cc(C)c(C2(Cl)C(=O)NC3(CCCCC3)C2=O)c(C)c1
InChIInChI=1S/C18H22ClNO2/c1-11-9-12(2)14(13(3)10-11)18(19)15(21)17(20-16(18)22)7-5-4-6-8-17/h9-10H,4-8H2,1-3H3,(H,20,22)
InChIKeyCESFCQLJWYJUQU-UHFFFAOYSA-N
MW319.83 g/mol
LogP3.45
Rot. Bonds1

About 3-chloro-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione

3-chloro-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione (PubChem CID 139825783) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is 3-chloro-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-chloro-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione
PubChem CID139825783
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Name3-chloro-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione
SMILESCc1cc(C)c(C2(Cl)C(=O)NC3(CCCCC3)C2=O)c(C)c1
InChIInChI=1S/C18H22ClNO2/c1-11-9-12(2)14(13(3)10-11)18(19)15(21)17(20-16(18)22)7-5-4-6-8-17/h9-10H,4-8H2,1-3H3,(H,20,22)
InChIKeyCESFCQLJWYJUQU-UHFFFAOYSA-N
XLogP3.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1,2-dimethyl-4-(2,4,6-trimethylphenyl)pyrazolidine-3,5-dione
CID 21262189
3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7609704
N-methyl-1-(2,4,6-trimethylphenyl)cyclohexan-1-amine
CID 82289384
3-(4-bromo-2,6-dimethylphenyl)-3-chloro-8-methoxy-1-azaspiro[4.5]decane-2,4-dione;2,2-dichloro-1-[5-(furan-2-yl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone
CID 11686232
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 112774081
1-(2,4,6-trimethylphenyl)cyclohexane-1-carbohydrazide
CID 116844514
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4810094
CID 157445996
CID 157445996
3-(2-ethyl-4,6-dimethylphenyl)-4-hydroxy-1-azaspiro[4.5]decan-2-one
CID 143050037
3-(3-chloro-4-methylphenyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 61289546
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 55877167
[3-(2-ethyl-4,6-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] methanesulfonate
CID 59030292

Frequently Asked Questions

What is the IUPAC name of 3-chloro-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-chloro-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione (CID 139825783) is 3-chloro-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-chloro-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-chloro-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione is Cc1cc(C)c(C2(Cl)C(=O)NC3(CCCCC3)C2=O)c(C)c1.
What is the InChIKey of 3-chloro-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione?
The InChIKey is CESFCQLJWYJUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO2/c1-11-9-12(2)14(13(3)10-11)18(19)15(21)17(20-16(18)22)7-5-4-6-8-17/h9-10H,4-8H2,1-3H3,(H,20,22).
What are the key properties of 3-chloro-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione?
3-chloro-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione has a molecular weight of 319.83 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 139825783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).