1-(1-benzoylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione

C21H18N2O3 — CID 71561508

IUPAC1-(1-benzoylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCCC1)c1cn(C(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C21H18N2O3/c24-19(21(26)22-12-6-7-13-22)17-14-23(18-11-5-4-10-16(17)18)20(25)15-8-2-1-3-9-15/h1-5,8-11,14H,6-7,12-13H2
InChIKeyULSBJTMBGRQYBV-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.13
Rot. Bonds3

About 1-(1-benzoylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione

1-(1-benzoylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione (PubChem CID 71561508) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-(1-benzoylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione.

Molecular Properties

Compound Name1-(1-benzoylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
PubChem CID71561508
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name1-(1-benzoylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCCC1)c1cn(C(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C21H18N2O3/c24-19(21(26)22-12-6-7-13-22)17-14-23(18-11-5-4-10-16(17)18)20(25)15-8-2-1-3-9-15/h1-5,8-11,14H,6-7,12-13H2
InChIKeyULSBJTMBGRQYBV-UHFFFAOYSA-N
XLogP3.13
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.13
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 1-(1-benzoylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione?
The IUPAC name of 1-(1-benzoylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione (CID 71561508) is 1-(1-benzoylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione.
What is the SMILES notation for 1-(1-benzoylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione?
The canonical SMILES for 1-(1-benzoylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione is O=C(C(=O)N1CCCC1)c1cn(C(=O)c2ccccc2)c2ccccc12.
What is the InChIKey of 1-(1-benzoylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione?
The InChIKey is ULSBJTMBGRQYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-19(21(26)22-12-6-7-13-22)17-14-23(18-11-5-4-10-16(17)18)20(25)15-8-2-1-3-9-15/h1-5,8-11,14H,6-7,12-13H2.
What are the key properties of 1-(1-benzoylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione?
1-(1-benzoylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione has a molecular weight of 346.39 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzoylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione is sourced from PubChem (CID 71561508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).