ethyl 1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indole-3-carboxylate

C14H16N2O2 — CID 83983597

IUPACethyl 1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indole-3-carboxylate
SMILESCCOC(=O)c1cn(C)c2cc3c(cc12)CNC3
InChIInChI=1S/C14H16N2O2/c1-3-18-14(17)12-8-16(2)13-5-10-7-15-6-9(10)4-11(12)13/h4-5,8,15H,3,6-7H2,1-2H3
InChIKeyWORVRSMKZYKGSI-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.96
Rot. Bonds2

About ethyl 1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indole-3-carboxylate

ethyl 1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indole-3-carboxylate (PubChem CID 83983597) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indole-3-carboxylate
PubChem CID83983597
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Nameethyl 1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indole-3-carboxylate
SMILESCCOC(=O)c1cn(C)c2cc3c(cc12)CNC3
InChIInChI=1S/C14H16N2O2/c1-3-18-14(17)12-8-16(2)13-5-10-7-15-6-9(10)4-11(12)13/h4-5,8,15H,3,6-7H2,1-2H3
InChIKeyWORVRSMKZYKGSI-UHFFFAOYSA-N
XLogP1.96
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indole-3-carboxylate?
The IUPAC name of ethyl 1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indole-3-carboxylate (CID 83983597) is ethyl 1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indole-3-carboxylate.
What is the SMILES notation for ethyl 1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indole-3-carboxylate?
The canonical SMILES for ethyl 1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indole-3-carboxylate is CCOC(=O)c1cn(C)c2cc3c(cc12)CNC3.
What is the InChIKey of ethyl 1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indole-3-carboxylate?
The InChIKey is WORVRSMKZYKGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-18-14(17)12-8-16(2)13-5-10-7-15-6-9(10)4-11(12)13/h4-5,8,15H,3,6-7H2,1-2H3.
What are the key properties of ethyl 1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indole-3-carboxylate?
ethyl 1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indole-3-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indole-3-carboxylate is sourced from PubChem (CID 83983597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).