1-(oxolan-3-yl)ethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate

C16H22N2O3 — CID 75510324

IUPAC1-(oxolan-3-yl)ethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate
SMILESCC(OC(=O)c1ccc(N2CCCC2)nc1)C1CCOC1
InChIInChI=1S/C16H22N2O3/c1-12(14-6-9-20-11-14)21-16(19)13-4-5-15(17-10-13)18-7-2-3-8-18/h4-5,10,12,14H,2-3,6-9,11H2,1H3
InChIKeyPVGWTWGNKURTOW-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.26
Rot. Bonds4

About 1-(oxolan-3-yl)ethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate

1-(oxolan-3-yl)ethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate (PubChem CID 75510324) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(oxolan-3-yl)ethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate.

Molecular Properties

Compound Name1-(oxolan-3-yl)ethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate
PubChem CID75510324
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(oxolan-3-yl)ethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate
SMILESCC(OC(=O)c1ccc(N2CCCC2)nc1)C1CCOC1
InChIInChI=1S/C16H22N2O3/c1-12(14-6-9-20-11-14)21-16(19)13-4-5-15(17-10-13)18-7-2-3-8-18/h4-5,10,12,14H,2-3,6-9,11H2,1H3
InChIKeyPVGWTWGNKURTOW-UHFFFAOYSA-N
XLogP2.26
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)ethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate?
The IUPAC name of 1-(oxolan-3-yl)ethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate (CID 75510324) is 1-(oxolan-3-yl)ethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate.
What is the SMILES notation for 1-(oxolan-3-yl)ethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate?
The canonical SMILES for 1-(oxolan-3-yl)ethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate is CC(OC(=O)c1ccc(N2CCCC2)nc1)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)ethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate?
The InChIKey is PVGWTWGNKURTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12(14-6-9-20-11-14)21-16(19)13-4-5-15(17-10-13)18-7-2-3-8-18/h4-5,10,12,14H,2-3,6-9,11H2,1H3.
What are the key properties of 1-(oxolan-3-yl)ethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate?
1-(oxolan-3-yl)ethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate has a molecular weight of 290.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)ethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate is sourced from PubChem (CID 75510324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).