ethyl 3,4-dihydropyridine-5-carboxylate

C8H11NO2 — CID 159338711

IUPACethyl 3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=CN=CCC1
InChIInChI=1S/C8H11NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h5-6H,2-4H2,1H3
InChIKeyLFWFOVSVHBHWEM-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.30
Rot. Bonds2

About ethyl 3,4-dihydropyridine-5-carboxylate

ethyl 3,4-dihydropyridine-5-carboxylate (PubChem CID 159338711) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is ethyl 3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 3,4-dihydropyridine-5-carboxylate
PubChem CID159338711
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Nameethyl 3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=CN=CCC1
InChIInChI=1S/C8H11NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h5-6H,2-4H2,1H3
InChIKeyLFWFOVSVHBHWEM-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

Analyze ethyl 3,4-dihydropyridine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl(ethyl) pyrazolo[4,3-b]pyridine-6-carboxylate
CID 162368582
(3,3-Difluorocyclobutyl) 3,4-dihydropyridine-5-carboxylate
CID 160531595
ethyl 4-oxo-3H-pyridine-5-carboxylate
CID 22498653
Diethyl 3,4-dihydropyridine-3,5-dicarboxylate
CID 54502633
methyl 2-(3H-pyrrol-4-ylmethyl)prop-2-enoate
CID 58773707
ethyl 3-methyl-4-oxo-3H-pyridine-5-carboxylate
CID 69927057
pentyl 4-oxo-3H-pyridine-5-carboxylate
CID 70374280
Acetyl 2-[(ethylideneamino)methylidene]butanoate
CID 91468691
ethyl 7H-pyrazolo[4,3-b]pyridine-6-carboxylate
CID 97291810
ethyl 3H-pyrrole-4-carboxylate
CID 124517606
Ethyl 2-methyl-3,4-dihydropyridine-5-carboxylate
CID 132033083
Ethyl 6-chloro-3,4-dihydropyridine-5-carboxylate
CID 139317874

Frequently Asked Questions

What is the IUPAC name of ethyl 3,4-dihydropyridine-5-carboxylate?
The IUPAC name of ethyl 3,4-dihydropyridine-5-carboxylate (CID 159338711) is ethyl 3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for ethyl 3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for ethyl 3,4-dihydropyridine-5-carboxylate is CCOC(=O)C1=CN=CCC1.
What is the InChIKey of ethyl 3,4-dihydropyridine-5-carboxylate?
The InChIKey is LFWFOVSVHBHWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h5-6H,2-4H2,1H3.
What are the key properties of ethyl 3,4-dihydropyridine-5-carboxylate?
ethyl 3,4-dihydropyridine-5-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-5-carboxylate is sourced from PubChem (CID 159338711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).