6-pyrrolidin-1-yl-1H-indole-2,3-dione

C12H12N2O2 — CID 39871032

IUPAC6-pyrrolidin-1-yl-1H-indole-2,3-dione
SMILESO=C1Nc2cc(N3CCCC3)ccc2C1=O
InChIInChI=1S/C12H12N2O2/c15-11-9-4-3-8(14-5-1-2-6-14)7-10(9)13-12(11)16/h3-4,7H,1-2,5-6H2,(H,13,15,16)
InChIKeyKXNALUYBHWBWFL-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.42
Rot. Bonds1

About 6-pyrrolidin-1-yl-1H-indole-2,3-dione

6-pyrrolidin-1-yl-1H-indole-2,3-dione (PubChem CID 39871032) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 6-pyrrolidin-1-yl-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-pyrrolidin-1-yl-1H-indole-2,3-dione
PubChem CID39871032
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name6-pyrrolidin-1-yl-1H-indole-2,3-dione
SMILESO=C1Nc2cc(N3CCCC3)ccc2C1=O
InChIInChI=1S/C12H12N2O2/c15-11-9-4-3-8(14-5-1-2-6-14)7-10(9)13-12(11)16/h3-4,7H,1-2,5-6H2,(H,13,15,16)
InChIKeyKXNALUYBHWBWFL-UHFFFAOYSA-N
XLogP1.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.42
H-Bond Donors ≤ 51
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 6-pyrrolidin-1-yl-1H-indole-2,3-dione?
The IUPAC name of 6-pyrrolidin-1-yl-1H-indole-2,3-dione (CID 39871032) is 6-pyrrolidin-1-yl-1H-indole-2,3-dione.
What is the SMILES notation for 6-pyrrolidin-1-yl-1H-indole-2,3-dione?
The canonical SMILES for 6-pyrrolidin-1-yl-1H-indole-2,3-dione is O=C1Nc2cc(N3CCCC3)ccc2C1=O.
What is the InChIKey of 6-pyrrolidin-1-yl-1H-indole-2,3-dione?
The InChIKey is KXNALUYBHWBWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-11-9-4-3-8(14-5-1-2-6-14)7-10(9)13-12(11)16/h3-4,7H,1-2,5-6H2,(H,13,15,16).
What are the key properties of 6-pyrrolidin-1-yl-1H-indole-2,3-dione?
6-pyrrolidin-1-yl-1H-indole-2,3-dione has a molecular weight of 216.24 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-1-yl-1H-indole-2,3-dione is sourced from PubChem (CID 39871032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).