7-bromo-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]indole-2,3-dione

C15H11BrN2O3 — CID 62024759

IUPAC7-bromo-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]indole-2,3-dione
SMILESCn1ccc(C(=O)CN2C(=O)C(=O)c3cccc(Br)c32)c1
InChIInChI=1S/C15H11BrN2O3/c1-17-6-5-9(7-17)12(19)8-18-13-10(14(20)15(18)21)3-2-4-11(13)16/h2-7H,8H2,1H3
InChIKeyCEAYHRWHWUVGCR-UHFFFAOYSA-N
MW347.17 g/mol
LogP2.20
Rot. Bonds3

About 7-bromo-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]indole-2,3-dione

7-bromo-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]indole-2,3-dione (PubChem CID 62024759) has the molecular formula C15H11BrN2O3 and a molecular weight of 347.17 g/mol. Its IUPAC name is 7-bromo-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]indole-2,3-dione.

Molecular Properties

Compound Name7-bromo-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]indole-2,3-dione
PubChem CID62024759
Molecular FormulaC15H11BrN2O3
Molecular Weight347.17 g/mol
Exact Mass346.00
IUPAC Name7-bromo-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]indole-2,3-dione
SMILESCn1ccc(C(=O)CN2C(=O)C(=O)c3cccc(Br)c32)c1
InChIInChI=1S/C15H11BrN2O3/c1-17-6-5-9(7-17)12(19)8-18-13-10(14(20)15(18)21)3-2-4-11(13)16/h2-7H,8H2,1H3
InChIKeyCEAYHRWHWUVGCR-UHFFFAOYSA-N
XLogP2.20
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 52.20
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 7-bromo-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]indole-2,3-dione?
The IUPAC name of 7-bromo-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]indole-2,3-dione (CID 62024759) is 7-bromo-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]indole-2,3-dione.
What is the SMILES notation for 7-bromo-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]indole-2,3-dione?
The canonical SMILES for 7-bromo-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]indole-2,3-dione is Cn1ccc(C(=O)CN2C(=O)C(=O)c3cccc(Br)c32)c1.
What is the InChIKey of 7-bromo-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]indole-2,3-dione?
The InChIKey is CEAYHRWHWUVGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O3/c1-17-6-5-9(7-17)12(19)8-18-13-10(14(20)15(18)21)3-2-4-11(13)16/h2-7H,8H2,1H3.
What are the key properties of 7-bromo-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]indole-2,3-dione?
7-bromo-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]indole-2,3-dione has a molecular weight of 347.17 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]indole-2,3-dione is sourced from PubChem (CID 62024759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).