ethyl 6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate

C17H22N2O2 — CID 83984337

IUPACethyl 6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(C)c2cc3c(cc12)CN(CC)C3
InChIInChI=1S/C17H22N2O2/c1-5-19-9-12-7-14-15(8-13(12)10-19)18(4)11(3)16(14)17(20)21-6-2/h7-8H,5-6,9-10H2,1-4H3
InChIKeyFDBDRRYYPROUPH-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.00
Rot. Bonds3

About ethyl 6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate

ethyl 6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate (PubChem CID 83984337) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is ethyl 6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate
PubChem CID83984337
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Nameethyl 6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(C)c2cc3c(cc12)CN(CC)C3
InChIInChI=1S/C17H22N2O2/c1-5-19-9-12-7-14-15(8-13(12)10-19)18(4)11(3)16(14)17(20)21-6-2/h7-8H,5-6,9-10H2,1-4H3
InChIKeyFDBDRRYYPROUPH-UHFFFAOYSA-N
XLogP3.00
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate?
The IUPAC name of ethyl 6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate (CID 83984337) is ethyl 6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate.
What is the SMILES notation for ethyl 6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate?
The canonical SMILES for ethyl 6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate is CCOC(=O)c1c(C)n(C)c2cc3c(cc12)CN(CC)C3.
What is the InChIKey of ethyl 6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate?
The InChIKey is FDBDRRYYPROUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-5-19-9-12-7-14-15(8-13(12)10-19)18(4)11(3)16(14)17(20)21-6-2/h7-8H,5-6,9-10H2,1-4H3.
What are the key properties of ethyl 6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate?
ethyl 6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate has a molecular weight of 286.38 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate is sourced from PubChem (CID 83984337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).