(1-ethyl-2,3-dimethylindol-5-yl)-pyrrolidin-1-ylmethanone

C17H22N2O — CID 20940110

IUPAC(1-ethyl-2,3-dimethylindol-5-yl)-pyrrolidin-1-ylmethanone
SMILESCCn1c(C)c(C)c2cc(C(=O)N3CCCC3)ccc21
InChIInChI=1S/C17H22N2O/c1-4-19-13(3)12(2)15-11-14(7-8-16(15)19)17(20)18-9-5-6-10-18/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyIBVKZPYJAXUEPT-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.51
Rot. Bonds2

About (1-ethyl-2,3-dimethylindol-5-yl)-pyrrolidin-1-ylmethanone

(1-ethyl-2,3-dimethylindol-5-yl)-pyrrolidin-1-ylmethanone (PubChem CID 20940110) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (1-ethyl-2,3-dimethylindol-5-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(1-ethyl-2,3-dimethylindol-5-yl)-pyrrolidin-1-ylmethanone
PubChem CID20940110
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(1-ethyl-2,3-dimethylindol-5-yl)-pyrrolidin-1-ylmethanone
SMILESCCn1c(C)c(C)c2cc(C(=O)N3CCCC3)ccc21
InChIInChI=1S/C17H22N2O/c1-4-19-13(3)12(2)15-11-14(7-8-16(15)19)17(20)18-9-5-6-10-18/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyIBVKZPYJAXUEPT-UHFFFAOYSA-N
XLogP3.51
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (1-ethyl-2,3-dimethylindol-5-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (1-ethyl-2,3-dimethylindol-5-yl)-pyrrolidin-1-ylmethanone (CID 20940110) is (1-ethyl-2,3-dimethylindol-5-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (1-ethyl-2,3-dimethylindol-5-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (1-ethyl-2,3-dimethylindol-5-yl)-pyrrolidin-1-ylmethanone is CCn1c(C)c(C)c2cc(C(=O)N3CCCC3)ccc21.
What is the InChIKey of (1-ethyl-2,3-dimethylindol-5-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is IBVKZPYJAXUEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-19-13(3)12(2)15-11-14(7-8-16(15)19)17(20)18-9-5-6-10-18/h7-8,11H,4-6,9-10H2,1-3H3.
What are the key properties of (1-ethyl-2,3-dimethylindol-5-yl)-pyrrolidin-1-ylmethanone?
(1-ethyl-2,3-dimethylindol-5-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 270.38 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-2,3-dimethylindol-5-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 20940110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).