2-(3-benzoylindol-1-yl)-1-pyrrolidin-1-ylethanone

C21H20N2O2 — CID 963166

IUPAC2-(3-benzoylindol-1-yl)-1-pyrrolidin-1-ylethanone
SMILESO=C(c1ccccc1)c1cn(CC(=O)N2CCCC2)c2ccccc12
InChIInChI=1S/C21H20N2O2/c24-20(22-12-6-7-13-22)15-23-14-18(17-10-4-5-11-19(17)23)21(25)16-8-2-1-3-9-16/h1-5,8-11,14H,6-7,12-13,15H2
InChIKeyZUDFUOAUMQBEHH-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.49
Rot. Bonds4

About 2-(3-benzoylindol-1-yl)-1-pyrrolidin-1-ylethanone

2-(3-benzoylindol-1-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 963166) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-(3-benzoylindol-1-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(3-benzoylindol-1-yl)-1-pyrrolidin-1-ylethanone
PubChem CID963166
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name2-(3-benzoylindol-1-yl)-1-pyrrolidin-1-ylethanone
SMILESO=C(c1ccccc1)c1cn(CC(=O)N2CCCC2)c2ccccc12
InChIInChI=1S/C21H20N2O2/c24-20(22-12-6-7-13-22)15-23-14-18(17-10-4-5-11-19(17)23)21(25)16-8-2-1-3-9-16/h1-5,8-11,14H,6-7,12-13,15H2
InChIKeyZUDFUOAUMQBEHH-UHFFFAOYSA-N
XLogP3.49
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzoylindol-1-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(3-benzoylindol-1-yl)-1-pyrrolidin-1-ylethanone (CID 963166) is 2-(3-benzoylindol-1-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(3-benzoylindol-1-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(3-benzoylindol-1-yl)-1-pyrrolidin-1-ylethanone is O=C(c1ccccc1)c1cn(CC(=O)N2CCCC2)c2ccccc12.
What is the InChIKey of 2-(3-benzoylindol-1-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is ZUDFUOAUMQBEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c24-20(22-12-6-7-13-22)15-23-14-18(17-10-4-5-11-19(17)23)21(25)16-8-2-1-3-9-16/h1-5,8-11,14H,6-7,12-13,15H2.
What are the key properties of 2-(3-benzoylindol-1-yl)-1-pyrrolidin-1-ylethanone?
2-(3-benzoylindol-1-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 332.40 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzoylindol-1-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 963166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).