ethyl 3-(2,3-dihydro-1H-indol-3-yl)propanoate

C13H17NO2 — CID 70913003

IUPACethyl 3-(2,3-dihydro-1H-indol-3-yl)propanoate
SMILESCCOC(=O)CCC1CNc2ccccc21
InChIInChI=1S/C13H17NO2/c1-2-16-13(15)8-7-10-9-14-12-6-4-3-5-11(10)12/h3-6,10,14H,2,7-9H2,1H3
InChIKeyUBOWICODOFPNFI-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.54
Rot. Bonds4

About ethyl 3-(2,3-dihydro-1H-indol-3-yl)propanoate

ethyl 3-(2,3-dihydro-1H-indol-3-yl)propanoate (PubChem CID 70913003) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is ethyl 3-(2,3-dihydro-1H-indol-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2,3-dihydro-1H-indol-3-yl)propanoate
PubChem CID70913003
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Nameethyl 3-(2,3-dihydro-1H-indol-3-yl)propanoate
SMILESCCOC(=O)CCC1CNc2ccccc21
InChIInChI=1S/C13H17NO2/c1-2-16-13(15)8-7-10-9-14-12-6-4-3-5-11(10)12/h3-6,10,14H,2,7-9H2,1H3
InChIKeyUBOWICODOFPNFI-UHFFFAOYSA-N
XLogP2.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(5-chloro-2,3-dihydro-1H-indol-3-yl)propanoate
CID 70824239
ethyl 3-[(3R)-5-methoxy-2,3-dihydro-1H-indol-3-yl]propanoate
CID 23652761
4-(2,3-dihydro-1H-indol-3-yl)butanamide
CID 67613869
ethyl (3S)-2,3-dihydro-1H-indole-3-carboxylate;hydrochloride
CID 172907953
propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate
CID 79600080
ethyl N-[2-(2,3-dihydro-1H-indol-3-yl)ethylsulfamoyl]carbamate
CID 114463228
(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
(Z)-5-(2,3-dihydro-1H-indol-3-yl)-3-phenylpent-2-enoic acid
CID 70895655
N-cyclopentyl-3-(2,3-dihydro-1H-indol-3-yl)propanamide
CID 115105541
3-(2,3-dihydro-1H-indol-3-yl)-2,2-dimethylpropanoic acid
CID 117199439
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octanamide
CID 43125233
tert-butyl N-[2-[(3S)-2,3-dihydro-1H-indol-3-yl]ethyl]carbamate
CID 40546938

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,3-dihydro-1H-indol-3-yl)propanoate?
The IUPAC name of ethyl 3-(2,3-dihydro-1H-indol-3-yl)propanoate (CID 70913003) is ethyl 3-(2,3-dihydro-1H-indol-3-yl)propanoate.
What is the SMILES notation for ethyl 3-(2,3-dihydro-1H-indol-3-yl)propanoate?
The canonical SMILES for ethyl 3-(2,3-dihydro-1H-indol-3-yl)propanoate is CCOC(=O)CCC1CNc2ccccc21.
What is the InChIKey of ethyl 3-(2,3-dihydro-1H-indol-3-yl)propanoate?
The InChIKey is UBOWICODOFPNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-16-13(15)8-7-10-9-14-12-6-4-3-5-11(10)12/h3-6,10,14H,2,7-9H2,1H3.
What are the key properties of ethyl 3-(2,3-dihydro-1H-indol-3-yl)propanoate?
ethyl 3-(2,3-dihydro-1H-indol-3-yl)propanoate has a molecular weight of 219.28 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,3-dihydro-1H-indol-3-yl)propanoate is sourced from PubChem (CID 70913003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).