2-[5-(2-pyrrolidin-1-ylacetyl)-1H-indol-2-yl]ethyl formate

C17H20N2O3 — CID 174755746

IUPAC2-[5-(2-pyrrolidin-1-ylacetyl)-1H-indol-2-yl]ethyl formate
SMILESO=COCCc1cc2cc(C(=O)CN3CCCC3)ccc2[nH]1
InChIInChI=1S/C17H20N2O3/c20-12-22-8-5-15-10-14-9-13(3-4-16(14)18-15)17(21)11-19-6-1-2-7-19/h3-4,9-10,12,18H,1-2,5-8,11H2
InChIKeyKLUCFMJPRFOPJH-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.16
Rot. Bonds7

About 2-[5-(2-pyrrolidin-1-ylacetyl)-1H-indol-2-yl]ethyl formate

2-[5-(2-pyrrolidin-1-ylacetyl)-1H-indol-2-yl]ethyl formate (PubChem CID 174755746) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[5-(2-pyrrolidin-1-ylacetyl)-1H-indol-2-yl]ethyl formate.

Molecular Properties

Compound Name2-[5-(2-pyrrolidin-1-ylacetyl)-1H-indol-2-yl]ethyl formate
PubChem CID174755746
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-[5-(2-pyrrolidin-1-ylacetyl)-1H-indol-2-yl]ethyl formate
SMILESO=COCCc1cc2cc(C(=O)CN3CCCC3)ccc2[nH]1
InChIInChI=1S/C17H20N2O3/c20-12-22-8-5-15-10-14-9-13(3-4-16(14)18-15)17(21)11-19-6-1-2-7-19/h3-4,9-10,12,18H,1-2,5-8,11H2
InChIKeyKLUCFMJPRFOPJH-UHFFFAOYSA-N
XLogP2.16
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-pyrrolidin-1-ylacetyl)-1H-indol-2-yl]ethyl formate?
The IUPAC name of 2-[5-(2-pyrrolidin-1-ylacetyl)-1H-indol-2-yl]ethyl formate (CID 174755746) is 2-[5-(2-pyrrolidin-1-ylacetyl)-1H-indol-2-yl]ethyl formate.
What is the SMILES notation for 2-[5-(2-pyrrolidin-1-ylacetyl)-1H-indol-2-yl]ethyl formate?
The canonical SMILES for 2-[5-(2-pyrrolidin-1-ylacetyl)-1H-indol-2-yl]ethyl formate is O=COCCc1cc2cc(C(=O)CN3CCCC3)ccc2[nH]1.
What is the InChIKey of 2-[5-(2-pyrrolidin-1-ylacetyl)-1H-indol-2-yl]ethyl formate?
The InChIKey is KLUCFMJPRFOPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c20-12-22-8-5-15-10-14-9-13(3-4-16(14)18-15)17(21)11-19-6-1-2-7-19/h3-4,9-10,12,18H,1-2,5-8,11H2.
What are the key properties of 2-[5-(2-pyrrolidin-1-ylacetyl)-1H-indol-2-yl]ethyl formate?
2-[5-(2-pyrrolidin-1-ylacetyl)-1H-indol-2-yl]ethyl formate has a molecular weight of 300.36 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-pyrrolidin-1-ylacetyl)-1H-indol-2-yl]ethyl formate is sourced from PubChem (CID 174755746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).