ethyl 5-methyl-3,4-dihydro-2H-pyridine-5-carboxylate

C9H15NO2 — CID 24973557

IUPACethyl 5-methyl-3,4-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1(C)C=NCCC1
InChIInChI=1S/C9H15NO2/c1-3-12-8(11)9(2)5-4-6-10-7-9/h7H,3-6H2,1-2H3
InChIKeyHFIABTMOEDNGLN-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.42
Rot. Bonds2

About ethyl 5-methyl-3,4-dihydro-2H-pyridine-5-carboxylate

ethyl 5-methyl-3,4-dihydro-2H-pyridine-5-carboxylate (PubChem CID 24973557) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is ethyl 5-methyl-3,4-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-3,4-dihydro-2H-pyridine-5-carboxylate
PubChem CID24973557
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Nameethyl 5-methyl-3,4-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1(C)C=NCCC1
InChIInChI=1S/C9H15NO2/c1-3-12-8(11)9(2)5-4-6-10-7-9/h7H,3-6H2,1-2H3
InChIKeyHFIABTMOEDNGLN-UHFFFAOYSA-N
XLogP1.42
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-3,4-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of ethyl 5-methyl-3,4-dihydro-2H-pyridine-5-carboxylate (CID 24973557) is ethyl 5-methyl-3,4-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for ethyl 5-methyl-3,4-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for ethyl 5-methyl-3,4-dihydro-2H-pyridine-5-carboxylate is CCOC(=O)C1(C)C=NCCC1.
What is the InChIKey of ethyl 5-methyl-3,4-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is HFIABTMOEDNGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-12-8(11)9(2)5-4-6-10-7-9/h7H,3-6H2,1-2H3.
What are the key properties of ethyl 5-methyl-3,4-dihydro-2H-pyridine-5-carboxylate?
ethyl 5-methyl-3,4-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 169.22 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-3,4-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 24973557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).