ethyl 1,2-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylate;oxalic acid

C12H19NO6 — CID 67909631

IUPACethyl 1,2-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylate;oxalic acid
SMILESCCOC(=O)C1=CCC(C)N(C)C1.O=C(O)C(=O)O
InChIInChI=1S/C10H17NO2.C2H2O4/c1-4-13-10(12)9-6-5-8(2)11(3)7-9;3-1(4)2(5)6/h6,8H,4-5,7H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyGGNQJICLLVBQAH-UHFFFAOYSA-N
MW273.28 g/mol
LogP0.36
Rot. Bonds2

About ethyl 1,2-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylate;oxalic acid

ethyl 1,2-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylate;oxalic acid (PubChem CID 67909631) has the molecular formula C12H19NO6 and a molecular weight of 273.28 g/mol. Its IUPAC name is ethyl 1,2-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylate;oxalic acid.

Molecular Properties

Compound Nameethyl 1,2-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylate;oxalic acid
PubChem CID67909631
Molecular FormulaC12H19NO6
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Nameethyl 1,2-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylate;oxalic acid
SMILESCCOC(=O)C1=CCC(C)N(C)C1.O=C(O)C(=O)O
InChIInChI=1S/C10H17NO2.C2H2O4/c1-4-13-10(12)9-6-5-8(2)11(3)7-9;3-1(4)2(5)6/h6,8H,4-5,7H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyGGNQJICLLVBQAH-UHFFFAOYSA-N
XLogP0.36
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,2-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylate;oxalic acid?
The IUPAC name of ethyl 1,2-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylate;oxalic acid (CID 67909631) is ethyl 1,2-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylate;oxalic acid.
What is the SMILES notation for ethyl 1,2-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylate;oxalic acid?
The canonical SMILES for ethyl 1,2-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylate;oxalic acid is CCOC(=O)C1=CCC(C)N(C)C1.O=C(O)C(=O)O.
What is the InChIKey of ethyl 1,2-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylate;oxalic acid?
The InChIKey is GGNQJICLLVBQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2.C2H2O4/c1-4-13-10(12)9-6-5-8(2)11(3)7-9;3-1(4)2(5)6/h6,8H,4-5,7H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of ethyl 1,2-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylate;oxalic acid?
ethyl 1,2-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylate;oxalic acid has a molecular weight of 273.28 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylate;oxalic acid is sourced from PubChem (CID 67909631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).