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

C22H22N2O — CID 46343011

IUPAC1-(2,3-dihydroindol-1-yl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropan-1-one
SMILESCc1cccc(C(CC(=O)N2CCc3ccccc32)n2cccc2)c1
InChIInChI=1S/C22H22N2O/c1-17-7-6-9-19(15-17)21(23-12-4-5-13-23)16-22(25)24-14-11-18-8-2-3-10-20(18)24/h2-10,12-13,15,21H,11,14,16H2,1H3
InChIKeyLXTOFDWTZDMIIP-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.37
Rot. Bonds4

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

1-(2,3-dihydroindol-1-yl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropan-1-one (PubChem CID 46343011) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropan-1-one
PubChem CID46343011
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name1-(2,3-dihydroindol-1-yl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropan-1-one
SMILESCc1cccc(C(CC(=O)N2CCc3ccccc32)n2cccc2)c1
InChIInChI=1S/C22H22N2O/c1-17-7-6-9-19(15-17)21(23-12-4-5-13-23)16-22(25)24-14-11-18-8-2-3-10-20(18)24/h2-10,12-13,15,21H,11,14,16H2,1H3
InChIKeyLXTOFDWTZDMIIP-UHFFFAOYSA-N
XLogP4.37
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
(3R)-3-(3-methylphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one
CID 92709898
(3R)-3-(3-methylphenyl)-N-phenyl-3-pyrrol-1-ylpropanamide
CID 92710134
2-(2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanamine
CID 16793061
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
N-cyclopentyl-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46342997
1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone
CID 3245732
3-(4-aminophenyl)-1-(2,3-dihydroindol-1-yl)butan-1-one
CID 104502030
1-(2,3-dihydroindol-1-yl)undecan-1-one
CID 4052782
1-(2,3-dihydroindol-1-yl)nonan-1-one
CID 3742272
1-(2,3-dihydroindol-1-yl)-3-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 24790998
1-(2,3-dihydroindol-1-yl)-3-(2,4-dimethylanilino)propan-1-one
CID 109034719

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropan-1-one (CID 46343011) is 1-(2,3-dihydroindol-1-yl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropan-1-one is Cc1cccc(C(CC(=O)N2CCc3ccccc32)n2cccc2)c1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropan-1-one?
The InChIKey is LXTOFDWTZDMIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-17-7-6-9-19(15-17)21(23-12-4-5-13-23)16-22(25)24-14-11-18-8-2-3-10-20(18)24/h2-10,12-13,15,21H,11,14,16H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropan-1-one?
1-(2,3-dihydroindol-1-yl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropan-1-one has a molecular weight of 330.43 g/mol, XLogP of 4.37, 4 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-(3-methylphenyl)-3-pyrrol-1-ylpropan-1-one is sourced from PubChem (CID 46343011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).