ethyl 3,4-dihydropyridine-6-carboxylate

C8H11NO2 — CID 57074452

IUPACethyl 3,4-dihydropyridine-6-carboxylate
SMILESCCOC(=O)C1=CCCC=N1
InChIInChI=1S/C8H11NO2/c1-2-11-8(10)7-5-3-4-6-9-7/h5-6H,2-4H2,1H3
InChIKeyFWMNSHIDUITWEB-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.30
Rot. Bonds2

About ethyl 3,4-dihydropyridine-6-carboxylate

ethyl 3,4-dihydropyridine-6-carboxylate (PubChem CID 57074452) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is ethyl 3,4-dihydropyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3,4-dihydropyridine-6-carboxylate
PubChem CID57074452
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Nameethyl 3,4-dihydropyridine-6-carboxylate
SMILESCCOC(=O)C1=CCCC=N1
InChIInChI=1S/C8H11NO2/c1-2-11-8(10)7-5-3-4-6-9-7/h5-6H,2-4H2,1H3
InChIKeyFWMNSHIDUITWEB-UHFFFAOYSA-N
XLogP1.30
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,4-dihydropyridine-6-carboxylate?
The IUPAC name of ethyl 3,4-dihydropyridine-6-carboxylate (CID 57074452) is ethyl 3,4-dihydropyridine-6-carboxylate.
What is the SMILES notation for ethyl 3,4-dihydropyridine-6-carboxylate?
The canonical SMILES for ethyl 3,4-dihydropyridine-6-carboxylate is CCOC(=O)C1=CCCC=N1.
What is the InChIKey of ethyl 3,4-dihydropyridine-6-carboxylate?
The InChIKey is FWMNSHIDUITWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-11-8(10)7-5-3-4-6-9-7/h5-6H,2-4H2,1H3.
What are the key properties of ethyl 3,4-dihydropyridine-6-carboxylate?
ethyl 3,4-dihydropyridine-6-carboxylate has a molecular weight of 153.18 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,4-dihydropyridine-6-carboxylate is sourced from PubChem (CID 57074452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).