ethyl 1-(2,3-dihydro-1H-inden-5-yl)-4-phenyl-2-propylpyrrole-3-carboxylate

C25H27NO2 — CID 134952361

IUPACethyl 1-(2,3-dihydro-1H-inden-5-yl)-4-phenyl-2-propylpyrrole-3-carboxylate
SMILESCCCc1c(C(=O)OCC)c(-c2ccccc2)cn1-c1ccc2c(c1)CCC2
InChIInChI=1S/C25H27NO2/c1-3-9-23-24(25(27)28-4-2)22(19-10-6-5-7-11-19)17-26(23)21-15-14-18-12-8-13-20(18)16-21/h5-7,10-11,14-17H,3-4,8-9,12-13H2,1-2H3
InChIKeyZFBPLFRTJCPBSY-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.76
Rot. Bonds6

About ethyl 1-(2,3-dihydro-1H-inden-5-yl)-4-phenyl-2-propylpyrrole-3-carboxylate

ethyl 1-(2,3-dihydro-1H-inden-5-yl)-4-phenyl-2-propylpyrrole-3-carboxylate (PubChem CID 134952361) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is ethyl 1-(2,3-dihydro-1H-inden-5-yl)-4-phenyl-2-propylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,3-dihydro-1H-inden-5-yl)-4-phenyl-2-propylpyrrole-3-carboxylate
PubChem CID134952361
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Nameethyl 1-(2,3-dihydro-1H-inden-5-yl)-4-phenyl-2-propylpyrrole-3-carboxylate
SMILESCCCc1c(C(=O)OCC)c(-c2ccccc2)cn1-c1ccc2c(c1)CCC2
InChIInChI=1S/C25H27NO2/c1-3-9-23-24(25(27)28-4-2)22(19-10-6-5-7-11-19)17-26(23)21-15-14-18-12-8-13-20(18)16-21/h5-7,10-11,14-17H,3-4,8-9,12-13H2,1-2H3
InChIKeyZFBPLFRTJCPBSY-UHFFFAOYSA-N
XLogP5.76
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 1-(4-ethoxycarbonylphenyl)-2-phenyl-5-propylpyrrole-3,4-dicarboxylate
CID 101336364
ethyl 1-methyl-2,4-diphenylpyrrole-3-carboxylate
CID 10852115
ethyl 2-methyl-4-phenyl-1-pyrrol-1-ylpyrrole-3-carboxylate
CID 67945560
ethyl 4-oxo-7-phenyl-2-sulfanylidene-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylate
CID 11449878
1-(2,3-dihydro-1H-inden-5-yl)-6-oxopyridine-3-carboxamide
CID 45086937
ethyl 1-methyl-2-(methylaminomethyl)-5-phenylindole-3-carboxylate
CID 170077347
ethyl 2-methyl-6-phenylbenzoate
CID 86249615
ethyl 2-hydroxy-4-phenylnaphthalene-1-carboxylate
CID 13200815
ethyl 1-methyl-4-oxo-2,6-diphenylpyridine-3-carboxylate
CID 14075368
ethyl 5-hydroxy-1-methyl-2-phenylindole-3-carboxylate
CID 1257583
ethyl 2-phenylcyclohexene-1-carboxylate
CID 15667923
ethyl 2-aminoazulene-1-carboxylate
CID 11458568

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,3-dihydro-1H-inden-5-yl)-4-phenyl-2-propylpyrrole-3-carboxylate?
The IUPAC name of ethyl 1-(2,3-dihydro-1H-inden-5-yl)-4-phenyl-2-propylpyrrole-3-carboxylate (CID 134952361) is ethyl 1-(2,3-dihydro-1H-inden-5-yl)-4-phenyl-2-propylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 1-(2,3-dihydro-1H-inden-5-yl)-4-phenyl-2-propylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 1-(2,3-dihydro-1H-inden-5-yl)-4-phenyl-2-propylpyrrole-3-carboxylate is CCCc1c(C(=O)OCC)c(-c2ccccc2)cn1-c1ccc2c(c1)CCC2.
What is the InChIKey of ethyl 1-(2,3-dihydro-1H-inden-5-yl)-4-phenyl-2-propylpyrrole-3-carboxylate?
The InChIKey is ZFBPLFRTJCPBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2/c1-3-9-23-24(25(27)28-4-2)22(19-10-6-5-7-11-19)17-26(23)21-15-14-18-12-8-13-20(18)16-21/h5-7,10-11,14-17H,3-4,8-9,12-13H2,1-2H3.
What are the key properties of ethyl 1-(2,3-dihydro-1H-inden-5-yl)-4-phenyl-2-propylpyrrole-3-carboxylate?
ethyl 1-(2,3-dihydro-1H-inden-5-yl)-4-phenyl-2-propylpyrrole-3-carboxylate has a molecular weight of 373.50 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,3-dihydro-1H-inden-5-yl)-4-phenyl-2-propylpyrrole-3-carboxylate is sourced from PubChem (CID 134952361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).