2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione

C18H24N2O3 — CID 17407870

IUPAC2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESCCn1c(C)cc(C(=O)CN2C(=O)CC3(CCCC3)C2=O)c1C
InChIInChI=1S/C18H24N2O3/c1-4-19-12(2)9-14(13(19)3)15(21)11-20-16(22)10-18(17(20)23)7-5-6-8-18/h9H,4-8,10-11H2,1-3H3
InChIKeyXLUNTAXNVXFEOD-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.63
Rot. Bonds4

About 2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione

2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 17407870) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID17407870
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESCCn1c(C)cc(C(=O)CN2C(=O)CC3(CCCC3)C2=O)c1C
InChIInChI=1S/C18H24N2O3/c1-4-19-12(2)9-14(13(19)3)15(21)11-20-16(22)10-18(17(20)23)7-5-6-8-18/h9H,4-8,10-11H2,1-3H3
InChIKeyXLUNTAXNVXFEOD-UHFFFAOYSA-N
XLogP2.63
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-2-azaspiro[4.5]decane-1,3-dione
CID 24608500
1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
CID 62024381
1-ethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 7823937
1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79178976
5,5-diethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 18775724
2-(2-naphthalen-1-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 17469781
1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]azepan-2-one
CID 62023902
2-(4,4-dimethylpiperidin-1-yl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 62923985
3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7850205
2-(2-naphthalen-2-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 17411430
3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4819005
methyl 3-[3-[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-2,5-dimethylpyrrol-1-yl]propanoate
CID 7610723

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione (CID 17407870) is 2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione is CCn1c(C)cc(C(=O)CN2C(=O)CC3(CCCC3)C2=O)c1C.
What is the InChIKey of 2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is XLUNTAXNVXFEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-4-19-12(2)9-14(13(19)3)15(21)11-20-16(22)10-18(17(20)23)7-5-6-8-18/h9H,4-8,10-11H2,1-3H3.
What are the key properties of 2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione?
2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 316.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 17407870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).