methyl 1-cyclohexyl-4-hydroxy-6-oxo-2,5-dihydropyridine-5-carboxylate

C13H19NO4 — CID 67110869

IUPACmethyl 1-cyclohexyl-4-hydroxy-6-oxo-2,5-dihydropyridine-5-carboxylate
SMILESCOC(=O)C1C(=O)N(C2CCCCC2)CC=C1O
InChIInChI=1S/C13H19NO4/c1-18-13(17)11-10(15)7-8-14(12(11)16)9-5-3-2-4-6-9/h7,9,11,15H,2-6,8H2,1H3
InChIKeyBZCOPDDVZJZXST-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.39
Rot. Bonds2

About methyl 1-cyclohexyl-4-hydroxy-6-oxo-2,5-dihydropyridine-5-carboxylate

methyl 1-cyclohexyl-4-hydroxy-6-oxo-2,5-dihydropyridine-5-carboxylate (PubChem CID 67110869) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 1-cyclohexyl-4-hydroxy-6-oxo-2,5-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-cyclohexyl-4-hydroxy-6-oxo-2,5-dihydropyridine-5-carboxylate
PubChem CID67110869
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Namemethyl 1-cyclohexyl-4-hydroxy-6-oxo-2,5-dihydropyridine-5-carboxylate
SMILESCOC(=O)C1C(=O)N(C2CCCCC2)CC=C1O
InChIInChI=1S/C13H19NO4/c1-18-13(17)11-10(15)7-8-14(12(11)16)9-5-3-2-4-6-9/h7,9,11,15H,2-6,8H2,1H3
InChIKeyBZCOPDDVZJZXST-UHFFFAOYSA-N
XLogP1.39
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 1-cyclohexyl-4-hydroxy-6-oxo-2,5-dihydropyridine-5-carboxylate?
The IUPAC name of methyl 1-cyclohexyl-4-hydroxy-6-oxo-2,5-dihydropyridine-5-carboxylate (CID 67110869) is methyl 1-cyclohexyl-4-hydroxy-6-oxo-2,5-dihydropyridine-5-carboxylate.
What is the SMILES notation for methyl 1-cyclohexyl-4-hydroxy-6-oxo-2,5-dihydropyridine-5-carboxylate?
The canonical SMILES for methyl 1-cyclohexyl-4-hydroxy-6-oxo-2,5-dihydropyridine-5-carboxylate is COC(=O)C1C(=O)N(C2CCCCC2)CC=C1O.
What is the InChIKey of methyl 1-cyclohexyl-4-hydroxy-6-oxo-2,5-dihydropyridine-5-carboxylate?
The InChIKey is BZCOPDDVZJZXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-18-13(17)11-10(15)7-8-14(12(11)16)9-5-3-2-4-6-9/h7,9,11,15H,2-6,8H2,1H3.
What are the key properties of methyl 1-cyclohexyl-4-hydroxy-6-oxo-2,5-dihydropyridine-5-carboxylate?
methyl 1-cyclohexyl-4-hydroxy-6-oxo-2,5-dihydropyridine-5-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-cyclohexyl-4-hydroxy-6-oxo-2,5-dihydropyridine-5-carboxylate is sourced from PubChem (CID 67110869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).