ethyl 2-oxo-2-(5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl)acetate

C15H15NO4 — CID 11471292

IUPACethyl 2-oxo-2-(5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl)acetate
SMILESCCOC(=O)C(=O)c1cccc2c1C1CCCN1C2=O
InChIInChI=1S/C15H15NO4/c1-2-20-15(19)13(17)9-5-3-6-10-12(9)11-7-4-8-16(11)14(10)18/h3,5-6,11H,2,4,7-8H2,1H3
InChIKeyVKRVNNZCOAUDJU-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.72
Rot. Bonds3

About ethyl 2-oxo-2-(5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl)acetate

ethyl 2-oxo-2-(5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl)acetate (PubChem CID 11471292) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is ethyl 2-oxo-2-(5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl)acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-(5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl)acetate
PubChem CID11471292
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Nameethyl 2-oxo-2-(5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl)acetate
SMILESCCOC(=O)C(=O)c1cccc2c1C1CCCN1C2=O
InChIInChI=1S/C15H15NO4/c1-2-20-15(19)13(17)9-5-3-6-10-12(9)11-7-4-8-16(11)14(10)18/h3,5-6,11H,2,4,7-8H2,1H3
InChIKeyVKRVNNZCOAUDJU-UHFFFAOYSA-N
XLogP1.72
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 69525566
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CID 69677338
CID 69677338
CID 146446331
CID 146446331
CID 146490572
CID 146490572
CID 175142129
CID 175142129
CID 10492334
CID 10492334
CID 10912238
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CID 15411735
CID 15411735

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-(5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl)acetate?
The IUPAC name of ethyl 2-oxo-2-(5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl)acetate (CID 11471292) is ethyl 2-oxo-2-(5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl)acetate.
What is the SMILES notation for ethyl 2-oxo-2-(5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl)acetate?
The canonical SMILES for ethyl 2-oxo-2-(5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl)acetate is CCOC(=O)C(=O)c1cccc2c1C1CCCN1C2=O.
What is the InChIKey of ethyl 2-oxo-2-(5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl)acetate?
The InChIKey is VKRVNNZCOAUDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-2-20-15(19)13(17)9-5-3-6-10-12(9)11-7-4-8-16(11)14(10)18/h3,5-6,11H,2,4,7-8H2,1H3.
What are the key properties of ethyl 2-oxo-2-(5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl)acetate?
ethyl 2-oxo-2-(5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl)acetate has a molecular weight of 273.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-(5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl)acetate is sourced from PubChem (CID 11471292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).