ethyl 5-(2-hydroxypropyl)-3,4-dihydro-2H-pyridine-1-carboxylate

C11H19NO3 — CID 70378450

IUPACethyl 5-(2-hydroxypropyl)-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=C(CC(C)O)CCC1
InChIInChI=1S/C11H19NO3/c1-3-15-11(14)12-6-4-5-10(8-12)7-9(2)13/h8-9,13H,3-7H2,1-2H3
InChIKeyRIDCKIVBDMKDIY-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.89
Rot. Bonds3

About ethyl 5-(2-hydroxypropyl)-3,4-dihydro-2H-pyridine-1-carboxylate

ethyl 5-(2-hydroxypropyl)-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 70378450) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl 5-(2-hydroxypropyl)-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-hydroxypropyl)-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID70378450
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl 5-(2-hydroxypropyl)-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=C(CC(C)O)CCC1
InChIInChI=1S/C11H19NO3/c1-3-15-11(14)12-6-4-5-10(8-12)7-9(2)13/h8-9,13H,3-7H2,1-2H3
InChIKeyRIDCKIVBDMKDIY-UHFFFAOYSA-N
XLogP1.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-hydroxypropyl)-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of ethyl 5-(2-hydroxypropyl)-3,4-dihydro-2H-pyridine-1-carboxylate (CID 70378450) is ethyl 5-(2-hydroxypropyl)-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl 5-(2-hydroxypropyl)-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for ethyl 5-(2-hydroxypropyl)-3,4-dihydro-2H-pyridine-1-carboxylate is CCOC(=O)N1C=C(CC(C)O)CCC1.
What is the InChIKey of ethyl 5-(2-hydroxypropyl)-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is RIDCKIVBDMKDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-15-11(14)12-6-4-5-10(8-12)7-9(2)13/h8-9,13H,3-7H2,1-2H3.
What are the key properties of ethyl 5-(2-hydroxypropyl)-3,4-dihydro-2H-pyridine-1-carboxylate?
ethyl 5-(2-hydroxypropyl)-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-hydroxypropyl)-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 70378450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).