ethyl 1,2-dihydropyridine-2-carboxylate

C8H11NO2 — CID 22741614

IUPACethyl 1,2-dihydropyridine-2-carboxylate
SMILESCCOC(=O)C1C=CC=CN1
InChIInChI=1S/C8H11NO2/c1-2-11-8(10)7-5-3-4-6-9-7/h3-7,9H,2H2,1H3
InChIKeyHAEVCNGPGUSHFN-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.59
Rot. Bonds2

About ethyl 1,2-dihydropyridine-2-carboxylate

ethyl 1,2-dihydropyridine-2-carboxylate (PubChem CID 22741614) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is ethyl 1,2-dihydropyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1,2-dihydropyridine-2-carboxylate
PubChem CID22741614
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Nameethyl 1,2-dihydropyridine-2-carboxylate
SMILESCCOC(=O)C1C=CC=CN1
InChIInChI=1S/C8H11NO2/c1-2-11-8(10)7-5-3-4-6-9-7/h3-7,9H,2H2,1H3
InChIKeyHAEVCNGPGUSHFN-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,2-dihydropyridine-2-carboxylate?
The IUPAC name of ethyl 1,2-dihydropyridine-2-carboxylate (CID 22741614) is ethyl 1,2-dihydropyridine-2-carboxylate.
What is the SMILES notation for ethyl 1,2-dihydropyridine-2-carboxylate?
The canonical SMILES for ethyl 1,2-dihydropyridine-2-carboxylate is CCOC(=O)C1C=CC=CN1.
What is the InChIKey of ethyl 1,2-dihydropyridine-2-carboxylate?
The InChIKey is HAEVCNGPGUSHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-11-8(10)7-5-3-4-6-9-7/h3-7,9H,2H2,1H3.
What are the key properties of ethyl 1,2-dihydropyridine-2-carboxylate?
ethyl 1,2-dihydropyridine-2-carboxylate has a molecular weight of 153.18 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2-dihydropyridine-2-carboxylate is sourced from PubChem (CID 22741614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).