diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate

C16H16N2O4 — CID 12575837

IUPACdiethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate
SMILESCCOC(=O)c1cc2cc3cc(C(=O)OCC)[nH]c3cc2[nH]1
InChIInChI=1S/C16H16N2O4/c1-3-21-15(19)13-6-9-5-10-7-14(16(20)22-4-2)18-12(10)8-11(9)17-13/h5-8,17-18H,3-4H2,1-2H3
InChIKeyWORWAZOXJHDDAF-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.00
Rot. Bonds4

About diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate

diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate (PubChem CID 12575837) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate.

Molecular Properties

Compound Namediethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate
PubChem CID12575837
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Namediethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate
SMILESCCOC(=O)c1cc2cc3cc(C(=O)OCC)[nH]c3cc2[nH]1
InChIInChI=1S/C16H16N2O4/c1-3-21-15(19)13-6-9-5-10-7-14(16(20)22-4-2)18-12(10)8-11(9)17-13/h5-8,17-18H,3-4H2,1-2H3
InChIKeyWORWAZOXJHDDAF-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 6-bromo-5-iodo-1H-indole-2-carboxylate
CID 135394278
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
ethyl 5-iodo-6-methoxy-1H-indole-2-carboxylate
CID 118029444
ethyl 5-tert-butyl-1H-indole-2-carboxylate
CID 4714960
diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate
CID 12643444
ethyl 5-bromo-6-(2-methylprop-2-enoxy)-1H-indole-2-carboxylate
CID 89423079
ethyl 5-(2-hydroxyethyl)-1H-indole-2-carboxylate
CID 68691266
ethyl 5-bromo-6-(methanesulfonamido)-1H-indole-2-carboxylate
CID 134448391
ethyl 5-[(dimethylamino)methyl]-1H-indole-2-carboxylate
CID 146012562
ethyl 5-(4-aminophenyl)sulfanyl-1H-indole-2-carboxylate
CID 10247192
ethyl 5-(4-fluorophenoxy)-1H-indole-2-carboxylate
CID 172554681
ethyl 5-[[4-[(2-ethoxycarbonyl-1H-indol-5-yl)amino]-4-oxobutanoyl]amino]-1H-indole-2-carboxylate
CID 71513334

Frequently Asked Questions

What is the IUPAC name of diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate?
The IUPAC name of diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate (CID 12575837) is diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate.
What is the SMILES notation for diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate?
The canonical SMILES for diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate is CCOC(=O)c1cc2cc3cc(C(=O)OCC)[nH]c3cc2[nH]1.
What is the InChIKey of diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate?
The InChIKey is WORWAZOXJHDDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-3-21-15(19)13-6-9-5-10-7-14(16(20)22-4-2)18-12(10)8-11(9)17-13/h5-8,17-18H,3-4H2,1-2H3.
What are the key properties of diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate?
diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-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 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate is sourced from PubChem (CID 12575837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).