ethyl 2,3-dihydroindole-1-carboxylate

C11H13NO2 — CID 741650

IUPACethyl 2,3-dihydroindole-1-carboxylate
SMILESCCOC(=O)N1CCc2ccccc21
InChIInChI=1S/C11H13NO2/c1-2-14-11(13)12-8-7-9-5-3-4-6-10(9)12/h3-6H,2,7-8H2,1H3
InChIKeyFEFTZWVEDKFHFY-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.21
Rot. Bonds1

About ethyl 2,3-dihydroindole-1-carboxylate

ethyl 2,3-dihydroindole-1-carboxylate (PubChem CID 741650) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is ethyl 2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nameethyl 2,3-dihydroindole-1-carboxylate
PubChem CID741650
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Nameethyl 2,3-dihydroindole-1-carboxylate
SMILESCCOC(=O)N1CCc2ccccc21
InChIInChI=1S/C11H13NO2/c1-2-14-11(13)12-8-7-9-5-3-4-6-10(9)12/h3-6H,2,7-8H2,1H3
InChIKeyFEFTZWVEDKFHFY-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethoxy-1-(ethoxycarbonyl)-1,2-dihydroquinoline
CID 27833
N-Methyloxindole
CID 6096
1-(2,3-Dihydro-1H-indol-1-yl)ethan-1-one
CID 27673
N-Ethyloxindole
CID 66135
1-(2-Chloroacetyl)indoline
CID 176897
methyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate
CID 667795
Phenylmethyl 2,3-dihydro-1H-indole-1-carboxylate
CID 4935693
1-Methyl-2,3-dihydro-1H-indole
CID 55830
3-(2,3-Dihydro-1H-indol-1-yl)propanoic acid
CID 647211
ethyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate
CID 2140509
Indolinyl morpholin-4-yl ketone
CID 669642
1-(2,3-dihydro-1H-indol-1-yl)prop-2-en-1-one
CID 23317889

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dihydroindole-1-carboxylate?
The IUPAC name of ethyl 2,3-dihydroindole-1-carboxylate (CID 741650) is ethyl 2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for ethyl 2,3-dihydroindole-1-carboxylate?
The canonical SMILES for ethyl 2,3-dihydroindole-1-carboxylate is CCOC(=O)N1CCc2ccccc21.
What is the InChIKey of ethyl 2,3-dihydroindole-1-carboxylate?
The InChIKey is FEFTZWVEDKFHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-14-11(13)12-8-7-9-5-3-4-6-10(9)12/h3-6H,2,7-8H2,1H3.
What are the key properties of ethyl 2,3-dihydroindole-1-carboxylate?
ethyl 2,3-dihydroindole-1-carboxylate has a molecular weight of 191.23 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 741650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).