ethyl 3-(2,3-dihydro-1H-indol-5-yl)benzoate

C17H17NO2 — CID 162653089

IUPACethyl 3-(2,3-dihydro-1H-indol-5-yl)benzoate
SMILESCCOC(=O)c1cccc(-c2ccc3c(c2)CCN3)c1
InChIInChI=1S/C17H17NO2/c1-2-20-17(19)15-5-3-4-12(11-15)13-6-7-16-14(10-13)8-9-18-16/h3-7,10-11,18H,2,8-9H2,1H3
InChIKeyGSPAYZOTBVCNFQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.50
Rot. Bonds3

About ethyl 3-(2,3-dihydro-1H-indol-5-yl)benzoate

ethyl 3-(2,3-dihydro-1H-indol-5-yl)benzoate (PubChem CID 162653089) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is ethyl 3-(2,3-dihydro-1H-indol-5-yl)benzoate.

Molecular Properties

Compound Nameethyl 3-(2,3-dihydro-1H-indol-5-yl)benzoate
PubChem CID162653089
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Nameethyl 3-(2,3-dihydro-1H-indol-5-yl)benzoate
SMILESCCOC(=O)c1cccc(-c2ccc3c(c2)CCN3)c1
InChIInChI=1S/C17H17NO2/c1-2-20-17(19)15-5-3-4-12(11-15)13-6-7-16-14(10-13)8-9-18-16/h3-7,10-11,18H,2,8-9H2,1H3
InChIKeyGSPAYZOTBVCNFQ-UHFFFAOYSA-N
XLogP3.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,3-dihydro-1H-indol-5-yl)benzoate?
The IUPAC name of ethyl 3-(2,3-dihydro-1H-indol-5-yl)benzoate (CID 162653089) is ethyl 3-(2,3-dihydro-1H-indol-5-yl)benzoate.
What is the SMILES notation for ethyl 3-(2,3-dihydro-1H-indol-5-yl)benzoate?
The canonical SMILES for ethyl 3-(2,3-dihydro-1H-indol-5-yl)benzoate is CCOC(=O)c1cccc(-c2ccc3c(c2)CCN3)c1.
What is the InChIKey of ethyl 3-(2,3-dihydro-1H-indol-5-yl)benzoate?
The InChIKey is GSPAYZOTBVCNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-2-20-17(19)15-5-3-4-12(11-15)13-6-7-16-14(10-13)8-9-18-16/h3-7,10-11,18H,2,8-9H2,1H3.
What are the key properties of ethyl 3-(2,3-dihydro-1H-indol-5-yl)benzoate?
ethyl 3-(2,3-dihydro-1H-indol-5-yl)benzoate has a molecular weight of 267.33 g/mol, XLogP of 3.50, 3 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-5-yl)benzoate is sourced from PubChem (CID 162653089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).