[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate

C20H20N2O5 — CID 7804268

IUPAC[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
SMILESCCn1c(C)cc(C(=O)COC(=O)CN2C(=O)C(=O)c3ccccc32)c1C
InChIInChI=1S/C20H20N2O5/c1-4-21-12(2)9-15(13(21)3)17(23)11-27-18(24)10-22-16-8-6-5-7-14(16)19(25)20(22)26/h5-9H,4,10-11H2,1-3H3
InChIKeyWOZQRXIUPYSHKK-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.08
Rot. Bonds6

About [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate

[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate (PubChem CID 7804268) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate.

Molecular Properties

Compound Name[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
PubChem CID7804268
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
SMILESCCn1c(C)cc(C(=O)COC(=O)CN2C(=O)C(=O)c3ccccc32)c1C
InChIInChI=1S/C20H20N2O5/c1-4-21-12(2)9-15(13(21)3)17(23)11-27-18(24)10-22-16-8-6-5-7-14(16)19(25)20(22)26/h5-9H,4,10-11H2,1-3H3
InChIKeyWOZQRXIUPYSHKK-UHFFFAOYSA-N
XLogP2.08
TPSA85.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804495
[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 55321637
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804310
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804306
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804354
ethyl 2-[(2E)-2-[1-(2-ethoxy-2-oxoethyl)-3-oxoindol-2-ylidene]-3-oxoindol-1-yl]acetate
CID 178001769
[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 2894299
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 4538442
ethyl 5-(2,3-dioxoindol-1-yl)-4-oxopentanoate
CID 103484663
[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 46567433
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804609
tert-butyl 2-(2,3-dioxoindol-1-yl)acetate
CID 23517202

Frequently Asked Questions

What is the IUPAC name of [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate?
The IUPAC name of [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate (CID 7804268) is [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate.
What is the SMILES notation for [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate?
The canonical SMILES for [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate is CCn1c(C)cc(C(=O)COC(=O)CN2C(=O)C(=O)c3ccccc32)c1C.
What is the InChIKey of [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate?
The InChIKey is WOZQRXIUPYSHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-4-21-12(2)9-15(13(21)3)17(23)11-27-18(24)10-22-16-8-6-5-7-14(16)19(25)20(22)26/h5-9H,4,10-11H2,1-3H3.
What are the key properties of [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate?
[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate has a molecular weight of 368.39 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate is sourced from PubChem (CID 7804268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).