(5-propyl-2-pyridinyl) propanoate

C11H15NO2 — CID 146561214

IUPAC(5-propyl-2-pyridinyl) propanoate
SMILESCCCc1ccc(OC(=O)CC)nc1
InChIInChI=1S/C11H15NO2/c1-3-5-9-6-7-10(12-8-9)14-11(13)4-2/h6-8H,3-5H2,1-2H3
InChIKeyPLZKJKZJIUGOAR-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.35
Rot. Bonds4

About (5-propyl-2-pyridinyl) propanoate

(5-propyl-2-pyridinyl) propanoate (PubChem CID 146561214) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (5-propyl-2-pyridinyl) propanoate.

Molecular Properties

Compound Name(5-propyl-2-pyridinyl) propanoate
PubChem CID146561214
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(5-propyl-2-pyridinyl) propanoate
SMILESCCCc1ccc(OC(=O)CC)nc1
InChIInChI=1S/C11H15NO2/c1-3-5-9-6-7-10(12-8-9)14-11(13)4-2/h6-8H,3-5H2,1-2H3
InChIKeyPLZKJKZJIUGOAR-UHFFFAOYSA-N
XLogP2.35
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-5-propylpyridine
CID 57169031
[5-(2-bromoethyl)-2-pyridinyl] acetate
CID 174760588
N-[2-(6-methoxy-3-pyridinyl)ethyl]-N-methylpropanamide
CID 129259339
oxadiazol-4-yl propanoate
CID 135263534
[5-(chloromethyl)-2-pyridinyl] ethyl carbonate
CID 68955424
[5-[2-(4-methylcyclohexyl)-2-oxoethyl]-2-pyridinyl] 4-methylcyclohexane-1-carboxylate
CID 144737186
2-ethyl-5-propylpyridine
CID 23544341
ethyl 2-(6-methoxy-3-pyridinyl)acetate
CID 131699443
2-(4-propylphenyl)-5-[2-(4-propylphenyl)ethyl]pyridine
CID 19842005
2-prop-1-enyl-5-propylpyridine
CID 54200611
methyl 2-(4-propylphenoxy)acetate
CID 19911850
N-[(6-methoxy-3-pyridinyl)methyl]-4-propylbenzenesulfonamide
CID 51320441

Frequently Asked Questions

What is the IUPAC name of (5-propyl-2-pyridinyl) propanoate?
The IUPAC name of (5-propyl-2-pyridinyl) propanoate (CID 146561214) is (5-propyl-2-pyridinyl) propanoate.
What is the SMILES notation for (5-propyl-2-pyridinyl) propanoate?
The canonical SMILES for (5-propyl-2-pyridinyl) propanoate is CCCc1ccc(OC(=O)CC)nc1.
What is the InChIKey of (5-propyl-2-pyridinyl) propanoate?
The InChIKey is PLZKJKZJIUGOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-5-9-6-7-10(12-8-9)14-11(13)4-2/h6-8H,3-5H2,1-2H3.
What are the key properties of (5-propyl-2-pyridinyl) propanoate?
(5-propyl-2-pyridinyl) propanoate has a molecular weight of 193.25 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propyl-2-pyridinyl) propanoate is sourced from PubChem (CID 146561214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).