(5-cyclopropyl-2-pyridinyl) acetate

C10H11NO2 — CID 174713182

IUPAC(5-cyclopropyl-2-pyridinyl) acetate
SMILESCC(=O)Oc1ccc(C2CC2)cn1
InChIInChI=1S/C10H11NO2/c1-7(12)13-10-5-4-9(6-11-10)8-2-3-8/h4-6,8H,2-3H2,1H3
InChIKeySYLJOOAGDFLMLK-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.88
Rot. Bonds2

About (5-cyclopropyl-2-pyridinyl) acetate

(5-cyclopropyl-2-pyridinyl) acetate (PubChem CID 174713182) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (5-cyclopropyl-2-pyridinyl) acetate.

Molecular Properties

Compound Name(5-cyclopropyl-2-pyridinyl) acetate
PubChem CID174713182
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(5-cyclopropyl-2-pyridinyl) acetate
SMILESCC(=O)Oc1ccc(C2CC2)cn1
InChIInChI=1S/C10H11NO2/c1-7(12)13-10-5-4-9(6-11-10)8-2-3-8/h4-6,8H,2-3H2,1H3
InChIKeySYLJOOAGDFLMLK-UHFFFAOYSA-N
XLogP1.88
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-2-pyridinyl) acetate?
The IUPAC name of (5-cyclopropyl-2-pyridinyl) acetate (CID 174713182) is (5-cyclopropyl-2-pyridinyl) acetate.
What is the SMILES notation for (5-cyclopropyl-2-pyridinyl) acetate?
The canonical SMILES for (5-cyclopropyl-2-pyridinyl) acetate is CC(=O)Oc1ccc(C2CC2)cn1.
What is the InChIKey of (5-cyclopropyl-2-pyridinyl) acetate?
The InChIKey is SYLJOOAGDFLMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-7(12)13-10-5-4-9(6-11-10)8-2-3-8/h4-6,8H,2-3H2,1H3.
What are the key properties of (5-cyclopropyl-2-pyridinyl) acetate?
(5-cyclopropyl-2-pyridinyl) acetate has a molecular weight of 177.20 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-2-pyridinyl) acetate is sourced from PubChem (CID 174713182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).