ethyl 2-(aminomethyl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxylate;hydrochloride

C14H17ClN2O3 — CID 22355495

IUPACethyl 2-(aminomethyl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxylate;hydrochloride
SMILESCCOC(=O)c1cc2c3c(ccc2[nH]1)CC(CN)O3.Cl
InChIInChI=1S/C14H16N2O3.ClH/c1-2-18-14(17)12-6-10-11(16-12)4-3-8-5-9(7-15)19-13(8)10;/h3-4,6,9,16H,2,5,7,15H2,1H3;1H
InChIKeyQTJAQOGOQYIEBD-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.03
Rot. Bonds3

About ethyl 2-(aminomethyl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxylate;hydrochloride

ethyl 2-(aminomethyl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxylate;hydrochloride (PubChem CID 22355495) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxylate;hydrochloride
PubChem CID22355495
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Nameethyl 2-(aminomethyl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxylate;hydrochloride
SMILESCCOC(=O)c1cc2c3c(ccc2[nH]1)CC(CN)O3.Cl
InChIInChI=1S/C14H16N2O3.ClH/c1-2-18-14(17)12-6-10-11(16-12)4-3-8-5-9(7-15)19-13(8)10;/h3-4,6,9,16H,2,5,7,15H2,1H3;1H
InChIKeyQTJAQOGOQYIEBD-UHFFFAOYSA-N
XLogP2.03
TPSA77.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(aminomethyl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxylate;hydrochloride with MolForge

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Related Compounds

diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate
CID 12643444
ethyl 4-formyl-5-hydroxy-1H-indole-2-carboxylate
CID 11064318
ethyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate
CID 22425219
(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine;hydrochloride
CID 138399168
ethyl 5-methyl-1-oxo-2H-isoquinoline-3-carboxylate
CID 165441491
ethyl 4-(cyclobutylmethoxy)-1H-indole-2-carboxylate
CID 66841782
ethyl 5-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate
CID 66873834
diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate
CID 12575837
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
ethyl 4-formyl-5-hydroxy-1H-indole-2-carboxylate;4-formyl-5-hydroxy-1H-indole-2-carboxylic acid;methanol
CID 161379320
[(2S)-7-ethoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 99981796
ethyl 4-methyl-2-oxo-1H-quinoline-6-carboxylate
CID 7453721

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxylate;hydrochloride?
The IUPAC name of ethyl 2-(aminomethyl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxylate;hydrochloride (CID 22355495) is ethyl 2-(aminomethyl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 2-(aminomethyl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxylate;hydrochloride?
The canonical SMILES for ethyl 2-(aminomethyl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxylate;hydrochloride is CCOC(=O)c1cc2c3c(ccc2[nH]1)CC(CN)O3.Cl.
What is the InChIKey of ethyl 2-(aminomethyl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxylate;hydrochloride?
The InChIKey is QTJAQOGOQYIEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3.ClH/c1-2-18-14(17)12-6-10-11(16-12)4-3-8-5-9(7-15)19-13(8)10;/h3-4,6,9,16H,2,5,7,15H2,1H3;1H.
What are the key properties of ethyl 2-(aminomethyl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxylate;hydrochloride?
ethyl 2-(aminomethyl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxylate;hydrochloride has a molecular weight of 296.75 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminomethyl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxylate;hydrochloride is sourced from PubChem (CID 22355495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).