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

C19H26N2O2 — CID 83984356

IUPACmethyl 3-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-methylpropanoate
SMILESCCN1Cc2cc3c(CC(C)C(=O)OC)c(C)n(C)c3cc2C1
InChIInChI=1S/C19H26N2O2/c1-6-21-10-14-8-17-16(7-12(2)19(22)23-5)13(3)20(4)18(17)9-15(14)11-21/h8-9,12H,6-7,10-11H2,1-5H3
InChIKeyBWNYKTPFZBEYPZ-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.17
Rot. Bonds4

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

methyl 3-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-methylpropanoate (PubChem CID 83984356) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is methyl 3-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-methylpropanoate
PubChem CID83984356
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Namemethyl 3-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-methylpropanoate
SMILESCCN1Cc2cc3c(CC(C)C(=O)OC)c(C)n(C)c3cc2C1
InChIInChI=1S/C19H26N2O2/c1-6-21-10-14-8-17-16(7-12(2)19(22)23-5)13(3)20(4)18(17)9-15(14)11-21/h8-9,12H,6-7,10-11H2,1-5H3
InChIKeyBWNYKTPFZBEYPZ-UHFFFAOYSA-N
XLogP3.17
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.17
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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Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-methylpropanoate?
The IUPAC name of methyl 3-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-methylpropanoate (CID 83984356) is methyl 3-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-methylpropanoate?
The canonical SMILES for methyl 3-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-methylpropanoate is CCN1Cc2cc3c(CC(C)C(=O)OC)c(C)n(C)c3cc2C1.
What is the InChIKey of methyl 3-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-methylpropanoate?
The InChIKey is BWNYKTPFZBEYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-6-21-10-14-8-17-16(7-12(2)19(22)23-5)13(3)20(4)18(17)9-15(14)11-21/h8-9,12H,6-7,10-11H2,1-5H3.
What are the key properties of methyl 3-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-methylpropanoate?
methyl 3-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-methylpropanoate has a molecular weight of 314.43 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-methylpropanoate is sourced from PubChem (CID 83984356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).