2-(1H-indol-2-yl)-3-methoxy-1-pyrrolidin-1-ylpropan-1-one

C16H20N2O2 — CID 91485624

IUPAC2-(1H-indol-2-yl)-3-methoxy-1-pyrrolidin-1-ylpropan-1-one
SMILESCOCC(C(=O)N1CCCC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H20N2O2/c1-20-11-13(16(19)18-8-4-5-9-18)15-10-12-6-2-3-7-14(12)17-15/h2-3,6-7,10,13,17H,4-5,8-9,11H2,1H3
InChIKeyOOBOUWXJLLUQIV-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.52
Rot. Bonds4

About 2-(1H-indol-2-yl)-3-methoxy-1-pyrrolidin-1-ylpropan-1-one

2-(1H-indol-2-yl)-3-methoxy-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 91485624) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(1H-indol-2-yl)-3-methoxy-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(1H-indol-2-yl)-3-methoxy-1-pyrrolidin-1-ylpropan-1-one
PubChem CID91485624
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(1H-indol-2-yl)-3-methoxy-1-pyrrolidin-1-ylpropan-1-one
SMILESCOCC(C(=O)N1CCCC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H20N2O2/c1-20-11-13(16(19)18-8-4-5-9-18)15-10-12-6-2-3-7-14(12)17-15/h2-3,6-7,10,13,17H,4-5,8-9,11H2,1H3
InChIKeyOOBOUWXJLLUQIV-UHFFFAOYSA-N
XLogP2.52
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-2-yl)-3-methoxy-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(1H-indol-2-yl)-3-methoxy-1-pyrrolidin-1-ylpropan-1-one (CID 91485624) is 2-(1H-indol-2-yl)-3-methoxy-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(1H-indol-2-yl)-3-methoxy-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(1H-indol-2-yl)-3-methoxy-1-pyrrolidin-1-ylpropan-1-one is COCC(C(=O)N1CCCC1)c1cc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-indol-2-yl)-3-methoxy-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is OOBOUWXJLLUQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-20-11-13(16(19)18-8-4-5-9-18)15-10-12-6-2-3-7-14(12)17-15/h2-3,6-7,10,13,17H,4-5,8-9,11H2,1H3.
What are the key properties of 2-(1H-indol-2-yl)-3-methoxy-1-pyrrolidin-1-ylpropan-1-one?
2-(1H-indol-2-yl)-3-methoxy-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 272.35 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-2-yl)-3-methoxy-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 91485624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).