ethyl 2-(1-pyridin-4-ylcyclobutyl)acetate

C13H17NO2 — CID 68851875

IUPACethyl 2-(1-pyridin-4-ylcyclobutyl)acetate
SMILESCCOC(=O)CC1(c2ccncc2)CCC1
InChIInChI=1S/C13H17NO2/c1-2-16-12(15)10-13(6-3-7-13)11-4-8-14-9-5-11/h4-5,8-9H,2-3,6-7,10H2,1H3
InChIKeyASGLPPUEALWOFL-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.46
Rot. Bonds4

About ethyl 2-(1-pyridin-4-ylcyclobutyl)acetate

ethyl 2-(1-pyridin-4-ylcyclobutyl)acetate (PubChem CID 68851875) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is ethyl 2-(1-pyridin-4-ylcyclobutyl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-pyridin-4-ylcyclobutyl)acetate
PubChem CID68851875
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Nameethyl 2-(1-pyridin-4-ylcyclobutyl)acetate
SMILESCCOC(=O)CC1(c2ccncc2)CCC1
InChIInChI=1S/C13H17NO2/c1-2-16-12(15)10-13(6-3-7-13)11-4-8-14-9-5-11/h4-5,8-9H,2-3,6-7,10H2,1H3
InChIKeyASGLPPUEALWOFL-UHFFFAOYSA-N
XLogP2.46
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-pyridin-4-ylcyclobutyl)acetate?
The IUPAC name of ethyl 2-(1-pyridin-4-ylcyclobutyl)acetate (CID 68851875) is ethyl 2-(1-pyridin-4-ylcyclobutyl)acetate.
What is the SMILES notation for ethyl 2-(1-pyridin-4-ylcyclobutyl)acetate?
The canonical SMILES for ethyl 2-(1-pyridin-4-ylcyclobutyl)acetate is CCOC(=O)CC1(c2ccncc2)CCC1.
What is the InChIKey of ethyl 2-(1-pyridin-4-ylcyclobutyl)acetate?
The InChIKey is ASGLPPUEALWOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-16-12(15)10-13(6-3-7-13)11-4-8-14-9-5-11/h4-5,8-9H,2-3,6-7,10H2,1H3.
What are the key properties of ethyl 2-(1-pyridin-4-ylcyclobutyl)acetate?
ethyl 2-(1-pyridin-4-ylcyclobutyl)acetate has a molecular weight of 219.28 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-pyridin-4-ylcyclobutyl)acetate is sourced from PubChem (CID 68851875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).