ethyl 5-[1-(1-benzylpyrrolidin-3-yl)ethenyl]-1H-indole-2-carboxylate

C24H26N2O2 — CID 90097682

IUPACethyl 5-[1-(1-benzylpyrrolidin-3-yl)ethenyl]-1H-indole-2-carboxylate
SMILESC=C(c1ccc2[nH]c(C(=O)OCC)cc2c1)C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C24H26N2O2/c1-3-28-24(27)23-14-21-13-19(9-10-22(21)25-23)17(2)20-11-12-26(16-20)15-18-7-5-4-6-8-18/h4-10,13-14,20,25H,2-3,11-12,15-16H2,1H3
InChIKeyCZGFCIDEUDACHH-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.88
Rot. Bonds6

About ethyl 5-[1-(1-benzylpyrrolidin-3-yl)ethenyl]-1H-indole-2-carboxylate

ethyl 5-[1-(1-benzylpyrrolidin-3-yl)ethenyl]-1H-indole-2-carboxylate (PubChem CID 90097682) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is ethyl 5-[1-(1-benzylpyrrolidin-3-yl)ethenyl]-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[1-(1-benzylpyrrolidin-3-yl)ethenyl]-1H-indole-2-carboxylate
PubChem CID90097682
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Nameethyl 5-[1-(1-benzylpyrrolidin-3-yl)ethenyl]-1H-indole-2-carboxylate
SMILESC=C(c1ccc2[nH]c(C(=O)OCC)cc2c1)C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C24H26N2O2/c1-3-28-24(27)23-14-21-13-19(9-10-22(21)25-23)17(2)20-11-12-26(16-20)15-18-7-5-4-6-8-18/h4-10,13-14,20,25H,2-3,11-12,15-16H2,1H3
InChIKeyCZGFCIDEUDACHH-UHFFFAOYSA-N
XLogP4.88
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-benzylpyrrolidine-3-carboxylate;formonitrile
CID 143159635
ethyl 5-[methyl(phenyl)carbamoyl]-1H-indole-2-carboxylate
CID 31853659
ethyl 5-[3-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylate
CID 68680571
ethyl 3-[(1-benzylpiperidine-4-carbonyl)amino]-4-methylbenzoate
CID 46774513
1-benzyl-N-(2-methyl-1H-indol-5-yl)piperidine-4-carboxamide
CID 51118445
methyl 5-(benzylcarbamoyl)-1H-indole-2-carboxylate
CID 129094981
1-[(3S)-1-benzylpyrrolidin-3-yl]-2-chloroethanone
CID 164769335
(4-benzylmorpholin-2-yl)methyl 6-methoxy-1H-indole-2-carboxylate
CID 56586442
ethyl 5-(2-hydroxyethyl)-1H-indole-2-carboxylate
CID 68691266
N-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole-2-carboxamide
CID 2814764
[(3R,4S)-1-benzyl-3-ethyl-3-hydroxypiperidin-4-yl]-(1H-indol-2-yl)methanone
CID 639291
ethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate;hydrochloride
CID 165176370

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[1-(1-benzylpyrrolidin-3-yl)ethenyl]-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5-[1-(1-benzylpyrrolidin-3-yl)ethenyl]-1H-indole-2-carboxylate (CID 90097682) is ethyl 5-[1-(1-benzylpyrrolidin-3-yl)ethenyl]-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5-[1-(1-benzylpyrrolidin-3-yl)ethenyl]-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5-[1-(1-benzylpyrrolidin-3-yl)ethenyl]-1H-indole-2-carboxylate is C=C(c1ccc2[nH]c(C(=O)OCC)cc2c1)C1CCN(Cc2ccccc2)C1.
What is the InChIKey of ethyl 5-[1-(1-benzylpyrrolidin-3-yl)ethenyl]-1H-indole-2-carboxylate?
The InChIKey is CZGFCIDEUDACHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-3-28-24(27)23-14-21-13-19(9-10-22(21)25-23)17(2)20-11-12-26(16-20)15-18-7-5-4-6-8-18/h4-10,13-14,20,25H,2-3,11-12,15-16H2,1H3.
What are the key properties of ethyl 5-[1-(1-benzylpyrrolidin-3-yl)ethenyl]-1H-indole-2-carboxylate?
ethyl 5-[1-(1-benzylpyrrolidin-3-yl)ethenyl]-1H-indole-2-carboxylate has a molecular weight of 374.48 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[1-(1-benzylpyrrolidin-3-yl)ethenyl]-1H-indole-2-carboxylate is sourced from PubChem (CID 90097682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).