ethyl 3,5-dimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrole-2-carboxylate

C19H22N2O3 — CID 43953848

IUPACethyl 3,5-dimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(C)c(C(=O)N2c3ccccc3CC2C)c1C
InChIInChI=1S/C19H22N2O3/c1-5-24-19(23)17-12(3)16(13(4)20-17)18(22)21-11(2)10-14-8-6-7-9-15(14)21/h6-9,11,20H,5,10H2,1-4H3
InChIKeyKQURUWMHLNBVLI-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.40
Rot. Bonds3

About ethyl 3,5-dimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrole-2-carboxylate

ethyl 3,5-dimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrole-2-carboxylate (PubChem CID 43953848) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is ethyl 3,5-dimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3,5-dimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrole-2-carboxylate
PubChem CID43953848
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Nameethyl 3,5-dimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(C)c(C(=O)N2c3ccccc3CC2C)c1C
InChIInChI=1S/C19H22N2O3/c1-5-24-19(23)17-12(3)16(13(4)20-17)18(22)21-11(2)10-14-8-6-7-9-15(14)21/h6-9,11,20H,5,10H2,1-4H3
InChIKeyKQURUWMHLNBVLI-UHFFFAOYSA-N
XLogP3.40
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 43953850
(2,6-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 17319734
ethyl 2,4-dimethyl-5-[(3R)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyrrole-3-carboxylate
CID 96517692
ethyl 3,5-dimethyl-4-[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]-1H-pyrrole-2-carboxylate
CID 18135317
ethyl 3,5-dimethyl-4-[(1S,5R)-3-phenyl-8-azabicyclo[3.2.1]octane-8-carbonyl]-1H-pyrrole-2-carboxylate
CID 154833636
methyl 2,4-dimethyl-5-[(2S)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propanoyl]-1H-pyrrole-3-carboxylate
CID 7042363
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
4-O-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 3347334
(3,5-dimethyl-1H-indol-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 84578405
6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyridin-2-one
CID 107362801
ethyl 3,5-dimethyl-4-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyrrole-2-carboxylate
CID 20934071
ethyl 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 42992372

Frequently Asked Questions

What is the IUPAC name of ethyl 3,5-dimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 3,5-dimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrole-2-carboxylate (CID 43953848) is ethyl 3,5-dimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 3,5-dimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 3,5-dimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]c(C)c(C(=O)N2c3ccccc3CC2C)c1C.
What is the InChIKey of ethyl 3,5-dimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrole-2-carboxylate?
The InChIKey is KQURUWMHLNBVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-5-24-19(23)17-12(3)16(13(4)20-17)18(22)21-11(2)10-14-8-6-7-9-15(14)21/h6-9,11,20H,5,10H2,1-4H3.
What are the key properties of ethyl 3,5-dimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrole-2-carboxylate?
ethyl 3,5-dimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrole-2-carboxylate has a molecular weight of 326.40 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,5-dimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 43953848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).