ethyl 3,4-dimethyl-6-(1H-pyrrole-2-carbonyl)-1,5-dihydropyrrolo[2,3-f]indole-2-carboxylate

C20H19N3O3 — CID 101036409

IUPACethyl 3,4-dimethyl-6-(1H-pyrrole-2-carbonyl)-1,5-dihydropyrrolo[2,3-f]indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2cc3cc(C(=O)c4ccc[nH]4)[nH]c3c(C)c2c1C
InChIInChI=1S/C20H19N3O3/c1-4-26-20(25)18-11(3)16-10(2)17-12(8-14(16)22-18)9-15(23-17)19(24)13-6-5-7-21-13/h5-9,21-23H,4H2,1-3H3
InChIKeyVELUGGAFWSLRSN-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.00
Rot. Bonds4

About ethyl 3,4-dimethyl-6-(1H-pyrrole-2-carbonyl)-1,5-dihydropyrrolo[2,3-f]indole-2-carboxylate

ethyl 3,4-dimethyl-6-(1H-pyrrole-2-carbonyl)-1,5-dihydropyrrolo[2,3-f]indole-2-carboxylate (PubChem CID 101036409) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is ethyl 3,4-dimethyl-6-(1H-pyrrole-2-carbonyl)-1,5-dihydropyrrolo[2,3-f]indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3,4-dimethyl-6-(1H-pyrrole-2-carbonyl)-1,5-dihydropyrrolo[2,3-f]indole-2-carboxylate
PubChem CID101036409
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Nameethyl 3,4-dimethyl-6-(1H-pyrrole-2-carbonyl)-1,5-dihydropyrrolo[2,3-f]indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2cc3cc(C(=O)c4ccc[nH]4)[nH]c3c(C)c2c1C
InChIInChI=1S/C20H19N3O3/c1-4-26-20(25)18-11(3)16-10(2)17-12(8-14(16)22-18)9-15(23-17)19(24)13-6-5-7-21-13/h5-9,21-23H,4H2,1-3H3
InChIKeyVELUGGAFWSLRSN-UHFFFAOYSA-N
XLogP4.00
TPSA90.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze ethyl 3,4-dimethyl-6-(1H-pyrrole-2-carbonyl)-1,5-dihydropyrrolo[2,3-f]indole-2-carboxylate with MolForge

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Related Compounds

ethyl 5,8-dimethoxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate
CID 67851388
ethyl 6-hydroxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate
CID 10314040
2-methylsulfonylethyl 1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate
CID 57321430
ethyl 7-methyl-1H-indole-2-carboxylate
CID 1235155
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
ethyl N-[6-(1H-pyrrole-2-carbonyl)-1H-benzimidazol-2-yl]carbamate
CID 14740805
ethyl 5-hydroxy-3-methyl-1H-indole-2-carboxylate
CID 68865271
ethyl 4-fluoro-3-hydroxy-1H-indole-2-carboxylate
CID 54706936
tert-butyl 1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate
CID 57139114
ethyl 5-ethoxy-3-methyl-1H-indole-2-carboxylate
CID 4777692
ethyl 3,6-dimethyl-4-oxo-1H-quinoline-2-carboxylate
CID 19603453
ethyl 5-ethyl-3-(2-oxo-1H-pyridin-3-yl)-1H-indole-2-carboxylate
CID 58240799

Frequently Asked Questions

What is the IUPAC name of ethyl 3,4-dimethyl-6-(1H-pyrrole-2-carbonyl)-1,5-dihydropyrrolo[2,3-f]indole-2-carboxylate?
The IUPAC name of ethyl 3,4-dimethyl-6-(1H-pyrrole-2-carbonyl)-1,5-dihydropyrrolo[2,3-f]indole-2-carboxylate (CID 101036409) is ethyl 3,4-dimethyl-6-(1H-pyrrole-2-carbonyl)-1,5-dihydropyrrolo[2,3-f]indole-2-carboxylate.
What is the SMILES notation for ethyl 3,4-dimethyl-6-(1H-pyrrole-2-carbonyl)-1,5-dihydropyrrolo[2,3-f]indole-2-carboxylate?
The canonical SMILES for ethyl 3,4-dimethyl-6-(1H-pyrrole-2-carbonyl)-1,5-dihydropyrrolo[2,3-f]indole-2-carboxylate is CCOC(=O)c1[nH]c2cc3cc(C(=O)c4ccc[nH]4)[nH]c3c(C)c2c1C.
What is the InChIKey of ethyl 3,4-dimethyl-6-(1H-pyrrole-2-carbonyl)-1,5-dihydropyrrolo[2,3-f]indole-2-carboxylate?
The InChIKey is VELUGGAFWSLRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-4-26-20(25)18-11(3)16-10(2)17-12(8-14(16)22-18)9-15(23-17)19(24)13-6-5-7-21-13/h5-9,21-23H,4H2,1-3H3.
What are the key properties of ethyl 3,4-dimethyl-6-(1H-pyrrole-2-carbonyl)-1,5-dihydropyrrolo[2,3-f]indole-2-carboxylate?
ethyl 3,4-dimethyl-6-(1H-pyrrole-2-carbonyl)-1,5-dihydropyrrolo[2,3-f]indole-2-carboxylate has a molecular weight of 349.39 g/mol, XLogP of 4.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,4-dimethyl-6-(1H-pyrrole-2-carbonyl)-1,5-dihydropyrrolo[2,3-f]indole-2-carboxylate is sourced from PubChem (CID 101036409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).