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

C15H16N2O — CID 6620445

IUPAC1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylpropan-1-one
SMILESCC(C(=O)N1CCc2ccccc21)n1cccc1
InChIInChI=1S/C15H16N2O/c1-12(16-9-4-5-10-16)15(18)17-11-8-13-6-2-3-7-14(13)17/h2-7,9-10,12H,8,11H2,1H3
InChIKeyHYDLEOHXXYIPLN-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.64
Rot. Bonds2

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

1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylpropan-1-one (PubChem CID 6620445) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylpropan-1-one
PubChem CID6620445
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylpropan-1-one
SMILESCC(C(=O)N1CCc2ccccc21)n1cccc1
InChIInChI=1S/C15H16N2O/c1-12(16-9-4-5-10-16)15(18)17-11-8-13-6-2-3-7-14(13)17/h2-7,9-10,12H,8,11H2,1H3
InChIKeyHYDLEOHXXYIPLN-UHFFFAOYSA-N
XLogP2.64
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.64
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)-2-pyrrol-1-ylpropan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylpropan-1-one (CID 6620445) is 1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylpropan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylpropan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylpropan-1-one is CC(C(=O)N1CCc2ccccc21)n1cccc1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylpropan-1-one?
The InChIKey is HYDLEOHXXYIPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-12(16-9-4-5-10-16)15(18)17-11-8-13-6-2-3-7-14(13)17/h2-7,9-10,12H,8,11H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylpropan-1-one?
1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylpropan-1-one has a molecular weight of 240.31 g/mol, XLogP of 2.64, 2 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)-2-pyrrol-1-ylpropan-1-one is sourced from PubChem (CID 6620445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).