1-(2,3-dihydroindol-1-yl)-3-pyrrol-1-ylpropan-1-one

C15H16N2O — CID 3242701

IUPAC1-(2,3-dihydroindol-1-yl)-3-pyrrol-1-ylpropan-1-one
SMILESO=C(CCn1cccc1)N1CCc2ccccc21
InChIInChI=1S/C15H16N2O/c18-15(8-11-16-9-3-4-10-16)17-12-7-13-5-1-2-6-14(13)17/h1-6,9-10H,7-8,11-12H2
InChIKeyLUXCSVBWRJAUNW-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.47
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-3-pyrrol-1-ylpropan-1-one

1-(2,3-dihydroindol-1-yl)-3-pyrrol-1-ylpropan-1-one (PubChem CID 3242701) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-3-pyrrol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-3-pyrrol-1-ylpropan-1-one
PubChem CID3242701
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1-(2,3-dihydroindol-1-yl)-3-pyrrol-1-ylpropan-1-one
SMILESO=C(CCn1cccc1)N1CCc2ccccc21
InChIInChI=1S/C15H16N2O/c18-15(8-11-16-9-3-4-10-16)17-12-7-13-5-1-2-6-14(13)17/h1-6,9-10H,7-8,11-12H2
InChIKeyLUXCSVBWRJAUNW-UHFFFAOYSA-N
XLogP2.47
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-pyrrol-1-ylpropan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-pyrrol-1-ylpropan-1-one (CID 3242701) is 1-(2,3-dihydroindol-1-yl)-3-pyrrol-1-ylpropan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-3-pyrrol-1-ylpropan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-3-pyrrol-1-ylpropan-1-one is O=C(CCn1cccc1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-3-pyrrol-1-ylpropan-1-one?
The InChIKey is LUXCSVBWRJAUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c18-15(8-11-16-9-3-4-10-16)17-12-7-13-5-1-2-6-14(13)17/h1-6,9-10H,7-8,11-12H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-3-pyrrol-1-ylpropan-1-one?
1-(2,3-dihydroindol-1-yl)-3-pyrrol-1-ylpropan-1-one has a molecular weight of 240.31 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-3-pyrrol-1-ylpropan-1-one is sourced from PubChem (CID 3242701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).