ethyl 2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate

C19H26N2O2 — CID 83984236

IUPACethyl 2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate
SMILESCCCn1c(C)c(CC(=O)OCC)c2cc3c(cc21)CN(C)C3
InChIInChI=1S/C19H26N2O2/c1-5-7-21-13(3)16(10-19(22)23-6-2)17-8-14-11-20(4)12-15(14)9-18(17)21/h8-9H,5-7,10-12H2,1-4H3
InChIKeyJZDFOANIZYPILA-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.41
Rot. Bonds5

About ethyl 2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate

ethyl 2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate (PubChem CID 83984236) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is ethyl 2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate
PubChem CID83984236
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Nameethyl 2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate
SMILESCCCn1c(C)c(CC(=O)OCC)c2cc3c(cc21)CN(C)C3
InChIInChI=1S/C19H26N2O2/c1-5-7-21-13(3)16(10-19(22)23-6-2)17-8-14-11-20(4)12-15(14)9-18(17)21/h8-9H,5-7,10-12H2,1-4H3
InChIKeyJZDFOANIZYPILA-UHFFFAOYSA-N
XLogP3.41
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol
CID 112540891
3-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-methylpropanoic acid
CID 83984251
2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-ethylethanamine
CID 112540888
3-(1-ethyl-2,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-(methylamino)propanoic acid
CID 83984295
2-amino-3-(1,2,6-trimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoic acid
CID 83984309
2-(methylamino)-3-(2-methyl-1-propyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)propanoic acid
CID 83984224
ethyl 2-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)acetate
CID 143225852
ethyl 2-[1-(cyclohexylmethyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 10759813
ethyl 6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate
CID 83984337
methyl 2-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate
CID 83983835
2-(6-methyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol
CID 112540741
methyl 2-[1-(2-aminoethyl)-2,5-dimethylindol-3-yl]acetate
CID 83948475

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate?
The IUPAC name of ethyl 2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate (CID 83984236) is ethyl 2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate?
The canonical SMILES for ethyl 2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate is CCCn1c(C)c(CC(=O)OCC)c2cc3c(cc21)CN(C)C3.
What is the InChIKey of ethyl 2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate?
The InChIKey is JZDFOANIZYPILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-5-7-21-13(3)16(10-19(22)23-6-2)17-8-14-11-20(4)12-15(14)9-18(17)21/h8-9H,5-7,10-12H2,1-4H3.
What are the key properties of ethyl 2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate?
ethyl 2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate has a molecular weight of 314.43 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate is sourced from PubChem (CID 83984236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).