1-[2,4-dimethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone

C18H20N2O2 — CID 5307798

IUPAC1-[2,4-dimethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone
SMILESCC(=O)c1c(C)[nH]c(C(=O)N2c3ccccc3CC2C)c1C
InChIInChI=1S/C18H20N2O2/c1-10-9-14-7-5-6-8-15(14)20(10)18(22)17-11(2)16(13(4)21)12(3)19-17/h5-8,10,19H,9H2,1-4H3
InChIKeyGRJQCAWXBCMFRF-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.43
Rot. Bonds2

About 1-[2,4-dimethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone

1-[2,4-dimethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone (PubChem CID 5307798) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[2,4-dimethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2,4-dimethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone
PubChem CID5307798
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-[2,4-dimethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone
SMILESCC(=O)c1c(C)[nH]c(C(=O)N2c3ccccc3CC2C)c1C
InChIInChI=1S/C18H20N2O2/c1-10-9-14-7-5-6-8-15(14)20(10)18(22)17-11(2)16(13(4)21)12(3)19-17/h5-8,10,19H,9H2,1-4H3
InChIKeyGRJQCAWXBCMFRF-UHFFFAOYSA-N
XLogP3.43
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dimethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
The IUPAC name of 1-[2,4-dimethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone (CID 5307798) is 1-[2,4-dimethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[2,4-dimethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[2,4-dimethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone is CC(=O)c1c(C)[nH]c(C(=O)N2c3ccccc3CC2C)c1C.
What is the InChIKey of 1-[2,4-dimethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
The InChIKey is GRJQCAWXBCMFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-10-9-14-7-5-6-8-15(14)20(10)18(22)17-11(2)16(13(4)21)12(3)19-17/h5-8,10,19H,9H2,1-4H3.
What are the key properties of 1-[2,4-dimethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
1-[2,4-dimethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone has a molecular weight of 296.37 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dimethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone is sourced from PubChem (CID 5307798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).