ethyl 2-oxo-2-(3-oxo-2,4-dihydro-1H-cyclopenta[b]indol-2-yl)acetate

C15H13NO4 — CID 3839231

IUPACethyl 2-oxo-2-(3-oxo-2,4-dihydro-1H-cyclopenta[b]indol-2-yl)acetate
SMILESCCOC(=O)C(=O)C1Cc2c([nH]c3ccccc23)C1=O
InChIInChI=1S/C15H13NO4/c1-2-20-15(19)14(18)10-7-9-8-5-3-4-6-11(8)16-12(9)13(10)17/h3-6,10,16H,2,7H2,1H3
InChIKeyGSYKINWVLHVYLT-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.66
Rot. Bonds3

About ethyl 2-oxo-2-(3-oxo-2,4-dihydro-1H-cyclopenta[b]indol-2-yl)acetate

ethyl 2-oxo-2-(3-oxo-2,4-dihydro-1H-cyclopenta[b]indol-2-yl)acetate (PubChem CID 3839231) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is ethyl 2-oxo-2-(3-oxo-2,4-dihydro-1H-cyclopenta[b]indol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-(3-oxo-2,4-dihydro-1H-cyclopenta[b]indol-2-yl)acetate
PubChem CID3839231
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Nameethyl 2-oxo-2-(3-oxo-2,4-dihydro-1H-cyclopenta[b]indol-2-yl)acetate
SMILESCCOC(=O)C(=O)C1Cc2c([nH]c3ccccc23)C1=O
InChIInChI=1S/C15H13NO4/c1-2-20-15(19)14(18)10-7-9-8-5-3-4-6-11(8)16-12(9)13(10)17/h3-6,10,16H,2,7H2,1H3
InChIKeyGSYKINWVLHVYLT-UHFFFAOYSA-N
XLogP1.66
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(2-ethoxy-2-oxoethyl)-1-oxo-2,3,4,9-tetrahydrocarbazole-3-carboxylate
CID 156612660
ethyl 2-[(2S)-6-cyclohexyl-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl]-2-oxoacetate
CID 98119849
ethyl 2-(6-cyclohexyl-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl)-2-oxoacetate
CID 3112110
ethyl 2-[(2S)-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl]acetate
CID 11470561
ethyl (3R)-4-oxo-1,2,3,9-tetrahydrocarbazole-3-carboxylate
CID 139081220
ethyl 1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate chloride
CID 21179161
ethyl (1S,12bS)-12b-methyl-4-oxo-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizine-1-carboxylate
CID 101256710
ethyl (1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylate
CID 92857663
ethyl 2-(2-methyl-6-oxo-4,5-dihydrocyclopenta[b]thiophen-5-yl)-2-oxoacetate
CID 67529431
ethyl 3-(3-ethoxy-3-oxoprop-1-en-2-yl)-1H-indole-2-carboxylate
CID 13166911
ethyl (E)-3-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]prop-2-enoate
CID 905333
methyl (3S)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
CID 10776668

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-(3-oxo-2,4-dihydro-1H-cyclopenta[b]indol-2-yl)acetate?
The IUPAC name of ethyl 2-oxo-2-(3-oxo-2,4-dihydro-1H-cyclopenta[b]indol-2-yl)acetate (CID 3839231) is ethyl 2-oxo-2-(3-oxo-2,4-dihydro-1H-cyclopenta[b]indol-2-yl)acetate.
What is the SMILES notation for ethyl 2-oxo-2-(3-oxo-2,4-dihydro-1H-cyclopenta[b]indol-2-yl)acetate?
The canonical SMILES for ethyl 2-oxo-2-(3-oxo-2,4-dihydro-1H-cyclopenta[b]indol-2-yl)acetate is CCOC(=O)C(=O)C1Cc2c([nH]c3ccccc23)C1=O.
What is the InChIKey of ethyl 2-oxo-2-(3-oxo-2,4-dihydro-1H-cyclopenta[b]indol-2-yl)acetate?
The InChIKey is GSYKINWVLHVYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-2-20-15(19)14(18)10-7-9-8-5-3-4-6-11(8)16-12(9)13(10)17/h3-6,10,16H,2,7H2,1H3.
What are the key properties of ethyl 2-oxo-2-(3-oxo-2,4-dihydro-1H-cyclopenta[b]indol-2-yl)acetate?
ethyl 2-oxo-2-(3-oxo-2,4-dihydro-1H-cyclopenta[b]indol-2-yl)acetate has a molecular weight of 271.27 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-(3-oxo-2,4-dihydro-1H-cyclopenta[b]indol-2-yl)acetate is sourced from PubChem (CID 3839231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).