8-[(E)-prop-1-enoxy]-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione

C21H27NO3 — CID 141228401

IUPAC8-[(E)-prop-1-enoxy]-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione
SMILESC/C=C/OC1CCC2(CC1)NC(=O)C(c1c(C)cc(C)cc1C)C2=O
InChIInChI=1S/C21H27NO3/c1-5-10-25-16-6-8-21(9-7-16)19(23)18(20(24)22-21)17-14(3)11-13(2)12-15(17)4/h5,10-12,16,18H,6-9H2,1-4H3,(H,22,24)/b10-5+
InChIKeyBLOIGQQTUOIEGY-BJMVGYQFSA-N
MW341.45 g/mol
LogP3.63
Rot. Bonds3

About 8-[(E)-prop-1-enoxy]-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione

8-[(E)-prop-1-enoxy]-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione (PubChem CID 141228401) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 8-[(E)-prop-1-enoxy]-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[(E)-prop-1-enoxy]-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione
PubChem CID141228401
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name8-[(E)-prop-1-enoxy]-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione
SMILESC/C=C/OC1CCC2(CC1)NC(=O)C(c1c(C)cc(C)cc1C)C2=O
InChIInChI=1S/C21H27NO3/c1-5-10-25-16-6-8-21(9-7-16)19(23)18(20(24)22-21)17-14(3)11-13(2)12-15(17)4/h5,10-12,16,18H,6-9H2,1-4H3,(H,22,24)/b10-5+
InChIKeyBLOIGQQTUOIEGY-BJMVGYQFSA-N
XLogP3.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-[(E)-prop-1-enoxy]-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione with MolForge

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Related Compounds

3-(4-chloro-2-methoxy-6-methylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione
CID 91599739
3-(4-cyclopropyl-2,6-dimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 91212908
3-(4-bromo-2,6-dimethylphenyl)-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione
CID 58031200
3-(2,4-dichloro-6-methylphenyl)-8-methoxy-1-azaspiro[4.4]nonane-2,4-dione
CID 67439161
3-(2,6-diethyl-4-methylphenyl)-8-(hydroxymethyl)-1-azaspiro[4.5]decane-2,4-dione
CID 90786668
3-(2-bromo-5-methylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione
CID 77256763
3-(2-chloro-4,6-dimethylphenyl)-7-methyl-8-oxa-1-azaspiro[4.5]decane-2,4-dione
CID 91132647
8-acetyl-3-(2,6-dimethyl-4-prop-1-ynylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 155577244
3-[2,6-dibromo-4-(trifluoromethoxy)phenyl]-1-azaspiro[4.4]nonane-2,4-dione
CID 66660197
5-cyclopropyl-3-(2-ethyl-4,6-dimethylphenyl)-5-methylpyrrolidine-2,4-dione
CID 68706925
3-(2,4-dichloro-6-methylphenyl)-8-ethoxy-8-methyl-1-azaspiro[4.5]decane-2,4-dione
CID 90688550
3-(4-cyclopropyl-2,6-dimethylphenyl)-5,5-dimethylpyrrolidine-2,4-dione
CID 67403997

Frequently Asked Questions

What is the IUPAC name of 8-[(E)-prop-1-enoxy]-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[(E)-prop-1-enoxy]-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione (CID 141228401) is 8-[(E)-prop-1-enoxy]-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[(E)-prop-1-enoxy]-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[(E)-prop-1-enoxy]-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione is C/C=C/OC1CCC2(CC1)NC(=O)C(c1c(C)cc(C)cc1C)C2=O.
What is the InChIKey of 8-[(E)-prop-1-enoxy]-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione?
The InChIKey is BLOIGQQTUOIEGY-BJMVGYQFSA-N. The full InChI is InChI=1S/C21H27NO3/c1-5-10-25-16-6-8-21(9-7-16)19(23)18(20(24)22-21)17-14(3)11-13(2)12-15(17)4/h5,10-12,16,18H,6-9H2,1-4H3,(H,22,24)/b10-5+.
What are the key properties of 8-[(E)-prop-1-enoxy]-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione?
8-[(E)-prop-1-enoxy]-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione has a molecular weight of 341.45 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(E)-prop-1-enoxy]-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 141228401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).