diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate

C16H16N2O4 — CID 12643444

IUPACdiethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate
SMILESCCOC(=O)c1cc2c(ccc3[nH]c(C(=O)OCC)cc32)[nH]1
InChIInChI=1S/C16H16N2O4/c1-3-21-15(19)13-7-9-10-8-14(16(20)22-4-2)18-12(10)6-5-11(9)17-13/h5-8,17-18H,3-4H2,1-2H3
InChIKeyRVRQNFAZXRYOFY-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.00
Rot. Bonds4

About diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate

diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate (PubChem CID 12643444) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate.

Molecular Properties

Compound Namediethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate
PubChem CID12643444
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Namediethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate
SMILESCCOC(=O)c1cc2c(ccc3[nH]c(C(=O)OCC)cc32)[nH]1
InChIInChI=1S/C16H16N2O4/c1-3-21-15(19)13-7-9-10-8-14(16(20)22-4-2)18-12(10)6-5-11(9)17-13/h5-8,17-18H,3-4H2,1-2H3
InChIKeyRVRQNFAZXRYOFY-UHFFFAOYSA-N
XLogP3.00
TPSA84.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-formyl-5-hydroxy-1H-indole-2-carboxylate
CID 11064318
ethyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate
CID 22425219
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
ethyl 8-nitro-7-oxo-3H-pyrano[3,2-e]indole-2-carboxylate
CID 906182
ethyl 7-methyl-1,10-dihydropyrrolo[2,3-a]carbazole-2-carboxylate
CID 11358301
ethyl 5-tert-butyl-1H-indole-2-carboxylate
CID 4714960
ethyl 2-(aminomethyl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxylate;hydrochloride
CID 22355495
ethyl 6-(cyanomethyl)-4-oxo-1H-quinoline-2-carboxylate
CID 117060106
ethyl 5-(2-hydroxyethyl)-1H-indole-2-carboxylate
CID 68691266
ethyl 4-methyl-2-oxo-1H-quinoline-6-carboxylate
CID 7453721

Frequently Asked Questions

What is the IUPAC name of diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate?
The IUPAC name of diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate (CID 12643444) is diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate.
What is the SMILES notation for diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate?
The canonical SMILES for diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate is CCOC(=O)c1cc2c(ccc3[nH]c(C(=O)OCC)cc32)[nH]1.
What is the InChIKey of diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate?
The InChIKey is RVRQNFAZXRYOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-3-21-15(19)13-7-9-10-8-14(16(20)22-4-2)18-12(10)6-5-11(9)17-13/h5-8,17-18H,3-4H2,1-2H3.
What are the key properties of diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate?
diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate has a molecular weight of 300.31 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate is sourced from PubChem (CID 12643444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).