ethyl 6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate

C8H11NO3 — CID 67531102

IUPACethyl 6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate
SMILESCCOC(=O)C1=CC(=O)NCC1
InChIInChI=1S/C8H11NO3/c1-2-12-8(11)6-3-4-9-7(10)5-6/h5H,2-4H2,1H3,(H,9,10)
InChIKeyTYZCQVMQRUVOFM-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.00
Rot. Bonds2

About ethyl 6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate

ethyl 6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate (PubChem CID 67531102) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is ethyl 6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate
PubChem CID67531102
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Nameethyl 6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate
SMILESCCOC(=O)C1=CC(=O)NCC1
InChIInChI=1S/C8H11NO3/c1-2-12-8(11)6-3-4-9-7(10)5-6/h5H,2-4H2,1H3,(H,9,10)
InChIKeyTYZCQVMQRUVOFM-UHFFFAOYSA-N
XLogP-0.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate
CID 54692116
ethyl 2,3,4,5-tetrahydro-1,3-benzothiazole-6-carboxylate
CID 143112264
propyl 3-oxocyclopentene-1-carboxylate
CID 102436268
4-ethyl-2,3-dihydro-1H-pyridin-6-one
CID 89096118
ethyl 5-oxocyclohexene-1-carboxylate
CID 101467436
ethyl 2,3-dihydro-1-benzothiepine-4-carboxylate
CID 11481719
2-acetyloxyethyl 1,2,3,6-tetrahydropyridine-4-carboxylate
CID 70609905
ethyl 5-methyl-2H-pyrrole-3-carboxylate
CID 58158190
ethyl cycloundecene-1-carboxylate
CID 154164177
ethyl 1H-indene-2-carboxylate
CID 15378309
ethyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 566021
ethyl cyclopenta-1,3-diene-1-carboxylate
CID 175029931

Frequently Asked Questions

What is the IUPAC name of ethyl 6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate?
The IUPAC name of ethyl 6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate (CID 67531102) is ethyl 6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate.
What is the SMILES notation for ethyl 6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate?
The canonical SMILES for ethyl 6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate is CCOC(=O)C1=CC(=O)NCC1.
What is the InChIKey of ethyl 6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate?
The InChIKey is TYZCQVMQRUVOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-2-12-8(11)6-3-4-9-7(10)5-6/h5H,2-4H2,1H3,(H,9,10).
What are the key properties of ethyl 6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate?
ethyl 6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate has a molecular weight of 169.18 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate is sourced from PubChem (CID 67531102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).