methyl 8-(trifluoromethyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate

C13H11F3N2O2 — CID 140982594

IUPACmethyl 8-(trifluoromethyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate
SMILESCOC(=O)c1c[nH]c2ccc3c(c12)C(C(F)(F)F)CN3
InChIInChI=1S/C13H11F3N2O2/c1-20-12(19)6-4-17-8-2-3-9-11(10(6)8)7(5-18-9)13(14,15)16/h2-4,7,17-18H,5H2,1H3
InChIKeyAPONFBYTMDAAKI-UHFFFAOYSA-N
MW284.24 g/mol
LogP3.03
Rot. Bonds1

About methyl 8-(trifluoromethyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate

methyl 8-(trifluoromethyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate (PubChem CID 140982594) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is methyl 8-(trifluoromethyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate.

Molecular Properties

Compound Namemethyl 8-(trifluoromethyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate
PubChem CID140982594
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Namemethyl 8-(trifluoromethyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate
SMILESCOC(=O)c1c[nH]c2ccc3c(c12)C(C(F)(F)F)CN3
InChIInChI=1S/C13H11F3N2O2/c1-20-12(19)6-4-17-8-2-3-9-11(10(6)8)7(5-18-9)13(14,15)16/h2-4,7,17-18H,5H2,1H3
InChIKeyAPONFBYTMDAAKI-UHFFFAOYSA-N
XLogP3.03
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl 8-(trifluoromethyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tropisetron
CID 656665
methyl 1H-indole-5-carboxylate
CID 2737635
Methyl indole-3-carboxylate
CID 589098
methyl 1H-indole-4-carboxylate
CID 2733668
8-Methyl-8-azabicyclo(3.2.1)octan-3-yl 1H-indole-3-carboxylate
CID 5595
Methyl indole-6-carboxylate
CID 639844
Methyl 3-indoleglyoxylate
CID 588944
Nortropisetron
CID 10199314
Pyrrollylactone indolinone driv. 15j
CID 5331090
methyl (3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indole-5-carboxylate
CID 23647617
(1-butylpiperidin-4-yl)methyl 1H-indole-3-carboxylate
CID 10852772
Ethyl Indole-3-carboxylate
CID 247965

Frequently Asked Questions

What is the IUPAC name of methyl 8-(trifluoromethyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate?
The IUPAC name of methyl 8-(trifluoromethyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate (CID 140982594) is methyl 8-(trifluoromethyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate.
What is the SMILES notation for methyl 8-(trifluoromethyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate?
The canonical SMILES for methyl 8-(trifluoromethyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate is COC(=O)c1c[nH]c2ccc3c(c12)C(C(F)(F)F)CN3.
What is the InChIKey of methyl 8-(trifluoromethyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate?
The InChIKey is APONFBYTMDAAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-20-12(19)6-4-17-8-2-3-9-11(10(6)8)7(5-18-9)13(14,15)16/h2-4,7,17-18H,5H2,1H3.
What are the key properties of methyl 8-(trifluoromethyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate?
methyl 8-(trifluoromethyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate has a molecular weight of 284.24 g/mol, XLogP of 3.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(trifluoromethyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate is sourced from PubChem (CID 140982594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).