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

C8H13NO2 — CID 10997267

IUPACethyl 3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=CCCC1
InChIInChI=1S/C8H13NO2/c1-2-11-8(10)9-6-4-3-5-7-9/h4,6H,2-3,5,7H2,1H3
InChIKeyATILYONFEASZNH-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.75
Rot. Bonds1

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

ethyl 3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 10997267) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is ethyl 3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID10997267
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Nameethyl 3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=CCCC1
InChIInChI=1S/C8H13NO2/c1-2-11-8(10)9-6-4-3-5-7-9/h4,6H,2-3,5,7H2,1H3
InChIKeyATILYONFEASZNH-UHFFFAOYSA-N
XLogP1.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of ethyl 3,4-dihydro-2H-pyridine-1-carboxylate (CID 10997267) is ethyl 3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl 3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for ethyl 3,4-dihydro-2H-pyridine-1-carboxylate is CCOC(=O)N1C=CCCC1.
What is the InChIKey of ethyl 3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is ATILYONFEASZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-11-8(10)9-6-4-3-5-7-9/h4,6H,2-3,5,7H2,1H3.
What are the key properties of ethyl 3,4-dihydro-2H-pyridine-1-carboxylate?
ethyl 3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 155.20 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 10997267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).