diethyl 1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxylate

C16H16N2O4 — CID 13401564

IUPACdiethyl 1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxylate
SMILESCCOC(=O)c1cc2ccc3cc(C(=O)OCC)[nH]c3c2[nH]1
InChIInChI=1S/C16H16N2O4/c1-3-21-15(19)11-7-9-5-6-10-8-12(16(20)22-4-2)18-14(10)13(9)17-11/h5-8,17-18H,3-4H2,1-2H3
InChIKeyTZGGWDDYLIQNJF-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.00
Rot. Bonds4

About diethyl 1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxylate

diethyl 1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxylate (PubChem CID 13401564) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is diethyl 1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxylate.

Molecular Properties

Compound Namediethyl 1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxylate
PubChem CID13401564
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Namediethyl 1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxylate
SMILESCCOC(=O)c1cc2ccc3cc(C(=O)OCC)[nH]c3c2[nH]1
InChIInChI=1S/C16H16N2O4/c1-3-21-15(19)11-7-9-5-6-10-8-12(16(20)22-4-2)18-14(10)13(9)17-11/h5-8,17-18H,3-4H2,1-2H3
InChIKeyTZGGWDDYLIQNJF-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 Beta-Carboline-3-Carboxylate
CID 105078
Methyl 9H-pyrido(3,4-b)indole-3-carboxylate
CID 107704
Propyl beta-carboline-3-carboxylate
CID 123662
2-(Ethoxycarbonyl)-1H-indole-5-carboxylic acid
CID 18071365
Harman-3-Carboxylic Acid
CID 5406157
Methyl 1-methyl-9H-pyrido(3,4-b)indole-3-carboxylate
CID 5291723
ethyl 5-methyl-1H-indole-2-carboxylate
CID 232919
Ethyl indole-2-carboxylate
CID 73125
1,1-Dimethylethyl 9H-pyrido(3,4-b)indole-3-carboxylate
CID 124514
Nbbcc
CID 128618
benzotriazol-1-yl 1H-indole-2-carboxylate
CID 15959241
ethyl 6-iodo-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13037317

Frequently Asked Questions

What is the IUPAC name of diethyl 1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxylate?
The IUPAC name of diethyl 1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxylate (CID 13401564) is diethyl 1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxylate.
What is the SMILES notation for diethyl 1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxylate?
The canonical SMILES for diethyl 1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxylate is CCOC(=O)c1cc2ccc3cc(C(=O)OCC)[nH]c3c2[nH]1.
What is the InChIKey of diethyl 1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxylate?
The InChIKey is TZGGWDDYLIQNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-3-21-15(19)11-7-9-5-6-10-8-12(16(20)22-4-2)18-14(10)13(9)17-11/h5-8,17-18H,3-4H2,1-2H3.
What are the key properties of diethyl 1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxylate?
diethyl 1,8-dihydropyrrolo[3,2-g]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 1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxylate is sourced from PubChem (CID 13401564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).