ethyl 2-(1,2,3,4-tetrahydropyridin-6-yl)acetate

C9H15NO2 — CID 91665734

IUPACethyl 2-(1,2,3,4-tetrahydropyridin-6-yl)acetate
SMILESCCOC(=O)CC1=CCCCN1
InChIInChI=1S/C9H15NO2/c1-2-12-9(11)7-8-5-3-4-6-10-8/h5,10H,2-4,6-7H2,1H3
InChIKeyUVCRSPYWYMPJNG-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.21
Rot. Bonds3

About ethyl 2-(1,2,3,4-tetrahydropyridin-6-yl)acetate

ethyl 2-(1,2,3,4-tetrahydropyridin-6-yl)acetate (PubChem CID 91665734) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is ethyl 2-(1,2,3,4-tetrahydropyridin-6-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1,2,3,4-tetrahydropyridin-6-yl)acetate
PubChem CID91665734
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Nameethyl 2-(1,2,3,4-tetrahydropyridin-6-yl)acetate
SMILESCCOC(=O)CC1=CCCCN1
InChIInChI=1S/C9H15NO2/c1-2-12-9(11)7-8-5-3-4-6-10-8/h5,10H,2-4,6-7H2,1H3
InChIKeyUVCRSPYWYMPJNG-UHFFFAOYSA-N
XLogP1.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,2,3,4-tetrahydropyridin-6-yl)acetate?
The IUPAC name of ethyl 2-(1,2,3,4-tetrahydropyridin-6-yl)acetate (CID 91665734) is ethyl 2-(1,2,3,4-tetrahydropyridin-6-yl)acetate.
What is the SMILES notation for ethyl 2-(1,2,3,4-tetrahydropyridin-6-yl)acetate?
The canonical SMILES for ethyl 2-(1,2,3,4-tetrahydropyridin-6-yl)acetate is CCOC(=O)CC1=CCCCN1.
What is the InChIKey of ethyl 2-(1,2,3,4-tetrahydropyridin-6-yl)acetate?
The InChIKey is UVCRSPYWYMPJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-12-9(11)7-8-5-3-4-6-10-8/h5,10H,2-4,6-7H2,1H3.
What are the key properties of ethyl 2-(1,2,3,4-tetrahydropyridin-6-yl)acetate?
ethyl 2-(1,2,3,4-tetrahydropyridin-6-yl)acetate has a molecular weight of 169.22 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,2,3,4-tetrahydropyridin-6-yl)acetate is sourced from PubChem (CID 91665734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).