1-(3-methoxy-2-oxopropyl)indole-2,3-dione

C12H11NO4 — CID 107507634

IUPAC1-(3-methoxy-2-oxopropyl)indole-2,3-dione
SMILESCOCC(=O)CN1C(=O)C(=O)c2ccccc21
InChIInChI=1S/C12H11NO4/c1-17-7-8(14)6-13-10-5-3-2-4-9(10)11(15)12(13)16/h2-5H,6-7H2,1H3
InChIKeyUQAWKZSDZOZZMC-UHFFFAOYSA-N
MW233.22 g/mol
LogP0.43
Rot. Bonds4

About 1-(3-methoxy-2-oxopropyl)indole-2,3-dione

1-(3-methoxy-2-oxopropyl)indole-2,3-dione (PubChem CID 107507634) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 1-(3-methoxy-2-oxopropyl)indole-2,3-dione.

Molecular Properties

Compound Name1-(3-methoxy-2-oxopropyl)indole-2,3-dione
PubChem CID107507634
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name1-(3-methoxy-2-oxopropyl)indole-2,3-dione
SMILESCOCC(=O)CN1C(=O)C(=O)c2ccccc21
InChIInChI=1S/C12H11NO4/c1-17-7-8(14)6-13-10-5-3-2-4-9(10)11(15)12(13)16/h2-5H,6-7H2,1H3
InChIKeyUQAWKZSDZOZZMC-UHFFFAOYSA-N
XLogP0.43
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 50.43
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

1-(3-methoxy-2-oxopropyl)-5-(trifluoromethyl)indole-2,3-dione
CID 107507833
ethyl 5-(2,3-dioxoindol-1-yl)-4-oxopentanoate
CID 103484663
tert-butyl 2-(2,3-dioxoindol-1-yl)acetate
CID 23517202
2-(2,3-dioxoindol-1-yl)-N,N-diphenylacetamide
CID 4713777
[(1R)-1-cyanoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804446
2-(2,3-dioxoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 60630184
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804306
[2-(4-methoxyanilino)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804539
3-(2,3-dioxoindol-1-yl)-2,2-dimethylpropanoic acid
CID 79630044
1-[[3,5-bis[(2,3-dioxoindol-1-yl)methyl]-2,4,6-triethylphenyl]methyl]indole-2,3-dione
CID 139203556
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804310
4-chloro-7-fluoro-1-(3-methoxy-2-oxopropyl)indole-2,3-dione
CID 107507737

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-oxopropyl)indole-2,3-dione?
The IUPAC name of 1-(3-methoxy-2-oxopropyl)indole-2,3-dione (CID 107507634) is 1-(3-methoxy-2-oxopropyl)indole-2,3-dione.
What is the SMILES notation for 1-(3-methoxy-2-oxopropyl)indole-2,3-dione?
The canonical SMILES for 1-(3-methoxy-2-oxopropyl)indole-2,3-dione is COCC(=O)CN1C(=O)C(=O)c2ccccc21.
What is the InChIKey of 1-(3-methoxy-2-oxopropyl)indole-2,3-dione?
The InChIKey is UQAWKZSDZOZZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-17-7-8(14)6-13-10-5-3-2-4-9(10)11(15)12(13)16/h2-5H,6-7H2,1H3.
What are the key properties of 1-(3-methoxy-2-oxopropyl)indole-2,3-dione?
1-(3-methoxy-2-oxopropyl)indole-2,3-dione has a molecular weight of 233.22 g/mol, XLogP of 0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-oxopropyl)indole-2,3-dione is sourced from PubChem (CID 107507634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).