ethyl 2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]acetate

C17H20N2O3 — CID 70848389

IUPACethyl 2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]acetate
SMILESCCOC(=O)CC1CCN(C(=O)c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C17H20N2O3/c1-2-22-16(20)9-12-7-8-19(11-12)17(21)15-10-13-5-3-4-6-14(13)18-15/h3-6,10,12,18H,2,7-9,11H2,1H3
InChIKeyJBUDHGTTWAEMIU-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.58
Rot. Bonds4

About ethyl 2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]acetate

ethyl 2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]acetate (PubChem CID 70848389) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is ethyl 2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]acetate
PubChem CID70848389
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Nameethyl 2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]acetate
SMILESCCOC(=O)CC1CCN(C(=O)c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C17H20N2O3/c1-2-22-16(20)9-12-7-8-19(11-12)17(21)15-10-13-5-3-4-6-14(13)18-15/h3-6,10,12,18H,2,7-9,11H2,1H3
InChIKeyJBUDHGTTWAEMIU-UHFFFAOYSA-N
XLogP2.58
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-indol-2-yl-(3-propylpyrrolidin-1-yl)methanone
CID 112695865
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 62349587
(3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 62069186
ethyl (3S)-1-(1H-indole-2-carbonyl)piperidine-3-carboxylate
CID 29206160
1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250609
(3-aminoazetidin-1-yl)-(1H-indol-2-yl)methanone
CID 65244567
tert-butyl N-[[(3R)-1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]methyl]carbamate
CID 96548725
2,2,2-trifluoro-N-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 21036988
2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126863817
1H-indol-2-yl-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53037973
methyl 2-[[(3R)-1-(1H-indole-2-carbonyl)piperidine-3-carbonyl]amino]acetate
CID 42571173
(2-ethylthiomorpholin-4-yl)-(1H-indol-2-yl)methanone
CID 115661623

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]acetate?
The IUPAC name of ethyl 2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]acetate (CID 70848389) is ethyl 2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]acetate?
The canonical SMILES for ethyl 2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]acetate is CCOC(=O)CC1CCN(C(=O)c2cc3ccccc3[nH]2)C1.
What is the InChIKey of ethyl 2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]acetate?
The InChIKey is JBUDHGTTWAEMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-2-22-16(20)9-12-7-8-19(11-12)17(21)15-10-13-5-3-4-6-14(13)18-15/h3-6,10,12,18H,2,7-9,11H2,1H3.
What are the key properties of ethyl 2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]acetate?
ethyl 2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]acetate has a molecular weight of 300.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]acetate is sourced from PubChem (CID 70848389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).