ethyl 1,4-dihydropyridine-2-carboxylate

C8H11NO2 — CID 70562507

IUPACethyl 1,4-dihydropyridine-2-carboxylate
SMILESCCOC(=O)C1=CCC=CN1
InChIInChI=1S/C8H11NO2/c1-2-11-8(10)7-5-3-4-6-9-7/h4-6,9H,2-3H2,1H3
InChIKeyTXFRBMCTWBQELU-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.94
Rot. Bonds2

About ethyl 1,4-dihydropyridine-2-carboxylate

ethyl 1,4-dihydropyridine-2-carboxylate (PubChem CID 70562507) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is ethyl 1,4-dihydropyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1,4-dihydropyridine-2-carboxylate
PubChem CID70562507
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Nameethyl 1,4-dihydropyridine-2-carboxylate
SMILESCCOC(=O)C1=CCC=CN1
InChIInChI=1S/C8H11NO2/c1-2-11-8(10)7-5-3-4-6-9-7/h4-6,9H,2-3H2,1H3
InChIKeyTXFRBMCTWBQELU-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,4-dihydropyridine-2-carboxylate?
The IUPAC name of ethyl 1,4-dihydropyridine-2-carboxylate (CID 70562507) is ethyl 1,4-dihydropyridine-2-carboxylate.
What is the SMILES notation for ethyl 1,4-dihydropyridine-2-carboxylate?
The canonical SMILES for ethyl 1,4-dihydropyridine-2-carboxylate is CCOC(=O)C1=CCC=CN1.
What is the InChIKey of ethyl 1,4-dihydropyridine-2-carboxylate?
The InChIKey is TXFRBMCTWBQELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-11-8(10)7-5-3-4-6-9-7/h4-6,9H,2-3H2,1H3.
What are the key properties of ethyl 1,4-dihydropyridine-2-carboxylate?
ethyl 1,4-dihydropyridine-2-carboxylate has a molecular weight of 153.18 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,4-dihydropyridine-2-carboxylate is sourced from PubChem (CID 70562507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).