5-methoxy-1-(thiophen-2-ylmethyl)indole-2,3-dione

C14H11NO3S — CID 61356112

IUPAC5-methoxy-1-(thiophen-2-ylmethyl)indole-2,3-dione
SMILESCOc1ccc2c(c1)C(=O)C(=O)N2Cc1cccs1
InChIInChI=1S/C14H11NO3S/c1-18-9-4-5-12-11(7-9)13(16)14(17)15(12)8-10-3-2-6-19-10/h2-7H,8H2,1H3
InChIKeyULKWCSLBPLGDJQ-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.49
Rot. Bonds3

About 5-methoxy-1-(thiophen-2-ylmethyl)indole-2,3-dione

5-methoxy-1-(thiophen-2-ylmethyl)indole-2,3-dione (PubChem CID 61356112) has the molecular formula C14H11NO3S and a molecular weight of 273.31 g/mol. Its IUPAC name is 5-methoxy-1-(thiophen-2-ylmethyl)indole-2,3-dione.

Molecular Properties

Compound Name5-methoxy-1-(thiophen-2-ylmethyl)indole-2,3-dione
PubChem CID61356112
Molecular FormulaC14H11NO3S
Molecular Weight273.31 g/mol
Exact Mass273.05
IUPAC Name5-methoxy-1-(thiophen-2-ylmethyl)indole-2,3-dione
SMILESCOc1ccc2c(c1)C(=O)C(=O)N2Cc1cccs1
InChIInChI=1S/C14H11NO3S/c1-18-9-4-5-12-11(7-9)13(16)14(17)15(12)8-10-3-2-6-19-10/h2-7H,8H2,1H3
InChIKeyULKWCSLBPLGDJQ-UHFFFAOYSA-N
XLogP2.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(thiophen-2-ylmethyl)indole-2,3-dione?
The IUPAC name of 5-methoxy-1-(thiophen-2-ylmethyl)indole-2,3-dione (CID 61356112) is 5-methoxy-1-(thiophen-2-ylmethyl)indole-2,3-dione.
What is the SMILES notation for 5-methoxy-1-(thiophen-2-ylmethyl)indole-2,3-dione?
The canonical SMILES for 5-methoxy-1-(thiophen-2-ylmethyl)indole-2,3-dione is COc1ccc2c(c1)C(=O)C(=O)N2Cc1cccs1.
What is the InChIKey of 5-methoxy-1-(thiophen-2-ylmethyl)indole-2,3-dione?
The InChIKey is ULKWCSLBPLGDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3S/c1-18-9-4-5-12-11(7-9)13(16)14(17)15(12)8-10-3-2-6-19-10/h2-7H,8H2,1H3.
What are the key properties of 5-methoxy-1-(thiophen-2-ylmethyl)indole-2,3-dione?
5-methoxy-1-(thiophen-2-ylmethyl)indole-2,3-dione has a molecular weight of 273.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(thiophen-2-ylmethyl)indole-2,3-dione is sourced from PubChem (CID 61356112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).