4,6-dimethoxy-1-(2-oxopropyl)indole-2,3-dione

C13H13NO5 — CID 12581011

IUPAC4,6-dimethoxy-1-(2-oxopropyl)indole-2,3-dione
SMILESCOc1cc(OC)c2c(c1)N(CC(C)=O)C(=O)C2=O
InChIInChI=1S/C13H13NO5/c1-7(15)6-14-9-4-8(18-2)5-10(19-3)11(9)12(16)13(14)17/h4-5H,6H2,1-3H3
InChIKeyPJCXQTDTECYRAP-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.82
Rot. Bonds4

About 4,6-dimethoxy-1-(2-oxopropyl)indole-2,3-dione

4,6-dimethoxy-1-(2-oxopropyl)indole-2,3-dione (PubChem CID 12581011) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is 4,6-dimethoxy-1-(2-oxopropyl)indole-2,3-dione.

Molecular Properties

Compound Name4,6-dimethoxy-1-(2-oxopropyl)indole-2,3-dione
PubChem CID12581011
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name4,6-dimethoxy-1-(2-oxopropyl)indole-2,3-dione
SMILESCOc1cc(OC)c2c(c1)N(CC(C)=O)C(=O)C2=O
InChIInChI=1S/C13H13NO5/c1-7(15)6-14-9-4-8(18-2)5-10(19-3)11(9)12(16)13(14)17/h4-5H,6H2,1-3H3
InChIKeyPJCXQTDTECYRAP-UHFFFAOYSA-N
XLogP0.82
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-1-(2-methylprop-2-enyl)indole-2,3-dione
CID 61356415
6-methoxy-1-(5-oxohexyl)indole-2,3-dione
CID 62023099
1-[(E)-3-chloro-2-methylprop-2-enyl]-6-methoxyindole-2,3-dione
CID 106438767
2-(6-chloro-5-methoxy-2,3-dioxoindol-1-yl)acetic acid
CID 84641418
6-fluoro-1-(2-oxopropyl)indole-2,3-dione
CID 62024263
1,2,3,4,5-pentafluoro-6-(2,4,6-trimethoxyphenyl)benzene
CID 102431568
4,5,6,7-tetrafluoro-2-(2-oxopropyl)isoindole-1,3-dione
CID 102235342
2-(6-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide
CID 61357088
1-(2,4,6-trimethoxyanilino)propan-2-one
CID 115234477
1-(2-oxopropyl)pyrrole-2,5-dione
CID 20692341
1-(3,3-dimethyl-2-oxobutyl)-5-methoxyindole-2,3-dione
CID 62023855
N-(2-hydroxyethyl)-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
CID 61356119

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-1-(2-oxopropyl)indole-2,3-dione?
The IUPAC name of 4,6-dimethoxy-1-(2-oxopropyl)indole-2,3-dione (CID 12581011) is 4,6-dimethoxy-1-(2-oxopropyl)indole-2,3-dione.
What is the SMILES notation for 4,6-dimethoxy-1-(2-oxopropyl)indole-2,3-dione?
The canonical SMILES for 4,6-dimethoxy-1-(2-oxopropyl)indole-2,3-dione is COc1cc(OC)c2c(c1)N(CC(C)=O)C(=O)C2=O.
What is the InChIKey of 4,6-dimethoxy-1-(2-oxopropyl)indole-2,3-dione?
The InChIKey is PJCXQTDTECYRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c1-7(15)6-14-9-4-8(18-2)5-10(19-3)11(9)12(16)13(14)17/h4-5H,6H2,1-3H3.
What are the key properties of 4,6-dimethoxy-1-(2-oxopropyl)indole-2,3-dione?
4,6-dimethoxy-1-(2-oxopropyl)indole-2,3-dione has a molecular weight of 263.25 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-1-(2-oxopropyl)indole-2,3-dione is sourced from PubChem (CID 12581011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).