5-bromo-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-indole-2,3-dione

C15H18BrN3O2 — CID 81452606

IUPAC5-bromo-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-indole-2,3-dione
SMILESCC1CN(c2cc3c(cc2Br)C(=O)C(=O)N3)CC1N(C)C
InChIInChI=1S/C15H18BrN3O2/c1-8-6-19(7-13(8)18(2)3)12-5-11-9(4-10(12)16)14(20)15(21)17-11/h4-5,8,13H,6-7H2,1-3H3,(H,17,20,21)
InChIKeyVFNIIBAODQUZDY-UHFFFAOYSA-N
MW352.23 g/mol
LogP1.97
Rot. Bonds2

About 5-bromo-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-indole-2,3-dione

5-bromo-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-indole-2,3-dione (PubChem CID 81452606) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 5-bromo-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-bromo-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-indole-2,3-dione
PubChem CID81452606
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name5-bromo-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-indole-2,3-dione
SMILESCC1CN(c2cc3c(cc2Br)C(=O)C(=O)N3)CC1N(C)C
InChIInChI=1S/C15H18BrN3O2/c1-8-6-19(7-13(8)18(2)3)12-5-11-9(4-10(12)16)14(20)15(21)17-11/h4-5,8,13H,6-7H2,1-3H3,(H,17,20,21)
InChIKeyVFNIIBAODQUZDY-UHFFFAOYSA-N
XLogP1.97
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
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-bromo-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-indole-2,3-dione?
The IUPAC name of 5-bromo-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-indole-2,3-dione (CID 81452606) is 5-bromo-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-indole-2,3-dione.
What is the SMILES notation for 5-bromo-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-indole-2,3-dione?
The canonical SMILES for 5-bromo-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-indole-2,3-dione is CC1CN(c2cc3c(cc2Br)C(=O)C(=O)N3)CC1N(C)C.
What is the InChIKey of 5-bromo-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-indole-2,3-dione?
The InChIKey is VFNIIBAODQUZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-8-6-19(7-13(8)18(2)3)12-5-11-9(4-10(12)16)14(20)15(21)17-11/h4-5,8,13H,6-7H2,1-3H3,(H,17,20,21).
What are the key properties of 5-bromo-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-indole-2,3-dione?
5-bromo-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-indole-2,3-dione has a molecular weight of 352.23 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-indole-2,3-dione is sourced from PubChem (CID 81452606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).