4-bromo-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione

C14H15BrN2O2 — CID 28782748

IUPAC4-bromo-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCN2CCCC2)c2cccc(Br)c21
InChIInChI=1S/C14H15BrN2O2/c15-10-4-3-5-11-12(10)13(18)14(19)17(11)9-8-16-6-1-2-7-16/h3-5H,1-2,6-9H2
InChIKeyFSZMVRGUUDRYIX-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.07
Rot. Bonds3

About 4-bromo-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione

4-bromo-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione (PubChem CID 28782748) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 4-bromo-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione.

Molecular Properties

Compound Name4-bromo-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione
PubChem CID28782748
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name4-bromo-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCN2CCCC2)c2cccc(Br)c21
InChIInChI=1S/C14H15BrN2O2/c15-10-4-3-5-11-12(10)13(18)14(19)17(11)9-8-16-6-1-2-7-16/h3-5H,1-2,6-9H2
InChIKeyFSZMVRGUUDRYIX-UHFFFAOYSA-N
XLogP2.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-bromo-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione?
The IUPAC name of 4-bromo-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione (CID 28782748) is 4-bromo-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione.
What is the SMILES notation for 4-bromo-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione?
The canonical SMILES for 4-bromo-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione is O=C1C(=O)N(CCN2CCCC2)c2cccc(Br)c21.
What is the InChIKey of 4-bromo-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione?
The InChIKey is FSZMVRGUUDRYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c15-10-4-3-5-11-12(10)13(18)14(19)17(11)9-8-16-6-1-2-7-16/h3-5H,1-2,6-9H2.
What are the key properties of 4-bromo-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione?
4-bromo-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione has a molecular weight of 323.19 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione is sourced from PubChem (CID 28782748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).