2-(3-methoxypyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone

C11H16N2O2 — CID 103535592

IUPAC2-(3-methoxypyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
SMILESCOC1CCN(CC(=O)c2ccc[nH]2)C1
InChIInChI=1S/C11H16N2O2/c1-15-9-4-6-13(7-9)8-11(14)10-3-2-5-12-10/h2-3,5,9,12H,4,6-8H2,1H3
InChIKeyYNVFWPHVKMJXTM-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.92
Rot. Bonds4

About 2-(3-methoxypyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone

2-(3-methoxypyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone (PubChem CID 103535592) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(3-methoxypyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-methoxypyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
PubChem CID103535592
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(3-methoxypyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
SMILESCOC1CCN(CC(=O)c2ccc[nH]2)C1
InChIInChI=1S/C11H16N2O2/c1-15-9-4-6-13(7-9)8-11(14)10-3-2-5-12-10/h2-3,5,9,12H,4,6-8H2,1H3
InChIKeyYNVFWPHVKMJXTM-UHFFFAOYSA-N
XLogP0.92
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone?
The IUPAC name of 2-(3-methoxypyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone (CID 103535592) is 2-(3-methoxypyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 2-(3-methoxypyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 2-(3-methoxypyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone is COC1CCN(CC(=O)c2ccc[nH]2)C1.
What is the InChIKey of 2-(3-methoxypyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone?
The InChIKey is YNVFWPHVKMJXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-15-9-4-6-13(7-9)8-11(14)10-3-2-5-12-10/h2-3,5,9,12H,4,6-8H2,1H3.
What are the key properties of 2-(3-methoxypyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone?
2-(3-methoxypyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone has a molecular weight of 208.26 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 103535592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).