(1,2-dimethyl-3-pyridin-2-ylpyrrolidin-3-yl) propanoate

C14H20N2O2 — CID 3053120

IUPAC(1,2-dimethyl-3-pyridin-2-ylpyrrolidin-3-yl) propanoate
SMILESCCC(=O)OC1(c2ccccn2)CCN(C)C1C
InChIInChI=1S/C14H20N2O2/c1-4-13(17)18-14(8-10-16(3)11(14)2)12-7-5-6-9-15-12/h5-7,9,11H,4,8,10H2,1-3H3
InChIKeyXMFMREKYEZOJNK-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.95
Rot. Bonds3

About (1,2-dimethyl-3-pyridin-2-ylpyrrolidin-3-yl) propanoate

(1,2-dimethyl-3-pyridin-2-ylpyrrolidin-3-yl) propanoate (PubChem CID 3053120) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (1,2-dimethyl-3-pyridin-2-ylpyrrolidin-3-yl) propanoate.

Molecular Properties

Compound Name(1,2-dimethyl-3-pyridin-2-ylpyrrolidin-3-yl) propanoate
PubChem CID3053120
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(1,2-dimethyl-3-pyridin-2-ylpyrrolidin-3-yl) propanoate
SMILESCCC(=O)OC1(c2ccccn2)CCN(C)C1C
InChIInChI=1S/C14H20N2O2/c1-4-13(17)18-14(8-10-16(3)11(14)2)12-7-5-6-9-15-12/h5-7,9,11H,4,8,10H2,1-3H3
InChIKeyXMFMREKYEZOJNK-UHFFFAOYSA-N
XLogP1.95
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,2-dimethyl-3-pyridin-2-ylpyrrolidin-3-yl) propanoate?
The IUPAC name of (1,2-dimethyl-3-pyridin-2-ylpyrrolidin-3-yl) propanoate (CID 3053120) is (1,2-dimethyl-3-pyridin-2-ylpyrrolidin-3-yl) propanoate.
What is the SMILES notation for (1,2-dimethyl-3-pyridin-2-ylpyrrolidin-3-yl) propanoate?
The canonical SMILES for (1,2-dimethyl-3-pyridin-2-ylpyrrolidin-3-yl) propanoate is CCC(=O)OC1(c2ccccn2)CCN(C)C1C.
What is the InChIKey of (1,2-dimethyl-3-pyridin-2-ylpyrrolidin-3-yl) propanoate?
The InChIKey is XMFMREKYEZOJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-13(17)18-14(8-10-16(3)11(14)2)12-7-5-6-9-15-12/h5-7,9,11H,4,8,10H2,1-3H3.
What are the key properties of (1,2-dimethyl-3-pyridin-2-ylpyrrolidin-3-yl) propanoate?
(1,2-dimethyl-3-pyridin-2-ylpyrrolidin-3-yl) propanoate has a molecular weight of 248.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethyl-3-pyridin-2-ylpyrrolidin-3-yl) propanoate is sourced from PubChem (CID 3053120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).