methyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate

C9H15NO2 — CID 3087495

IUPACmethyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCN1CCC=C(C(=O)OC)C1
InChIInChI=1S/C9H15NO2/c1-3-10-6-4-5-8(7-10)9(11)12-2/h5H,3-4,6-7H2,1-2H3
InChIKeyFOXLOWZDGBHOPK-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.81
Rot. Bonds2

About methyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate

methyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 3087495) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is methyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID3087495
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Namemethyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCN1CCC=C(C(=O)OC)C1
InChIInChI=1S/C9H15NO2/c1-3-10-6-4-5-8(7-10)9(11)12-2/h5H,3-4,6-7H2,1-2H3
InChIKeyFOXLOWZDGBHOPK-UHFFFAOYSA-N
XLogP0.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of methyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate (CID 3087495) is methyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for methyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for methyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate is CCN1CCC=C(C(=O)OC)C1.
What is the InChIKey of methyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is FOXLOWZDGBHOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-10-6-4-5-8(7-10)9(11)12-2/h5H,3-4,6-7H2,1-2H3.
What are the key properties of methyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate?
methyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 169.22 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 3087495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).