5-methoxy-1-[2-(2-oxocyclopentyl)ethyl]indole-2,3-dione

C16H17NO4 — CID 79577163

IUPAC5-methoxy-1-[2-(2-oxocyclopentyl)ethyl]indole-2,3-dione
SMILESCOc1ccc2c(c1)C(=O)C(=O)N2CCC1CCCC1=O
InChIInChI=1S/C16H17NO4/c1-21-11-5-6-13-12(9-11)15(19)16(20)17(13)8-7-10-3-2-4-14(10)18/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyBMUVLJQJDUYVSP-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.98
Rot. Bonds4

About 5-methoxy-1-[2-(2-oxocyclopentyl)ethyl]indole-2,3-dione

5-methoxy-1-[2-(2-oxocyclopentyl)ethyl]indole-2,3-dione (PubChem CID 79577163) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 5-methoxy-1-[2-(2-oxocyclopentyl)ethyl]indole-2,3-dione.

Molecular Properties

Compound Name5-methoxy-1-[2-(2-oxocyclopentyl)ethyl]indole-2,3-dione
PubChem CID79577163
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name5-methoxy-1-[2-(2-oxocyclopentyl)ethyl]indole-2,3-dione
SMILESCOc1ccc2c(c1)C(=O)C(=O)N2CCC1CCCC1=O
InChIInChI=1S/C16H17NO4/c1-21-11-5-6-13-12(9-11)15(19)16(20)17(13)8-7-10-3-2-4-14(10)18/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyBMUVLJQJDUYVSP-UHFFFAOYSA-N
XLogP1.98
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.98
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

N1-acetyl-N2-formyl-5-methoxykynuramine
CID 171161
5-Methoxyisatin
CID 38333
1-((4-Methoxyphenyl)methyl)-5-(trifluoromethoxy)-1H-indole-2,3-dione
CID 42633508
5-(trifluoromethoxy)-2,3-dihydro-1H-indole-2,3-dione
CID 2732752
1-(2-Phenoxyethyl)-5-(trifluoromethoxy)indoline-2,3-dione
CID 57525860
8-Methoxy-4,4,6-trimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
CID 2926974
5-Benzyloxyisatin
CID 16792980
1-[(4-Phenylphenyl)methyl]-5-(trifluoromethoxy)indole-2,3-dione
CID 45281794
8-Ethoxy-4,4,6-trimethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
CID 1999089
2-(5-Methoxy-2-oxo-1-phenethyl-1,2-dihydro-indol-3-ylidene)-malononitrile
CID 4020724
1-(4-Phenoxybenzyl)-5-(trifluoromethoxy)indoline-2,3-dione
CID 44602489
5-Methyl-1-(3-(m-tolyloxy)propyl)indoline-2,3-dione
CID 3157305

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-[2-(2-oxocyclopentyl)ethyl]indole-2,3-dione?
The IUPAC name of 5-methoxy-1-[2-(2-oxocyclopentyl)ethyl]indole-2,3-dione (CID 79577163) is 5-methoxy-1-[2-(2-oxocyclopentyl)ethyl]indole-2,3-dione.
What is the SMILES notation for 5-methoxy-1-[2-(2-oxocyclopentyl)ethyl]indole-2,3-dione?
The canonical SMILES for 5-methoxy-1-[2-(2-oxocyclopentyl)ethyl]indole-2,3-dione is COc1ccc2c(c1)C(=O)C(=O)N2CCC1CCCC1=O.
What is the InChIKey of 5-methoxy-1-[2-(2-oxocyclopentyl)ethyl]indole-2,3-dione?
The InChIKey is BMUVLJQJDUYVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-21-11-5-6-13-12(9-11)15(19)16(20)17(13)8-7-10-3-2-4-14(10)18/h5-6,9-10H,2-4,7-8H2,1H3.
What are the key properties of 5-methoxy-1-[2-(2-oxocyclopentyl)ethyl]indole-2,3-dione?
5-methoxy-1-[2-(2-oxocyclopentyl)ethyl]indole-2,3-dione has a molecular weight of 287.31 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-[2-(2-oxocyclopentyl)ethyl]indole-2,3-dione is sourced from PubChem (CID 79577163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).