cyclooctyl 6-methyl-4-oxo-1H-pyridine-3-carboxylate

C15H21NO3 — CID 71848549

IUPACcyclooctyl 6-methyl-4-oxo-1H-pyridine-3-carboxylate
SMILESCc1cc(=O)c(C(=O)OC2CCCCCCC2)c[nH]1
InChIInChI=1S/C15H21NO3/c1-11-9-14(17)13(10-16-11)15(18)19-12-7-5-3-2-4-6-8-12/h9-10,12H,2-8H2,1H3,(H,16,17)
InChIKeyVAVJIGKYXHCWIE-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.95
Rot. Bonds2

About cyclooctyl 6-methyl-4-oxo-1H-pyridine-3-carboxylate

cyclooctyl 6-methyl-4-oxo-1H-pyridine-3-carboxylate (PubChem CID 71848549) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is cyclooctyl 6-methyl-4-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namecyclooctyl 6-methyl-4-oxo-1H-pyridine-3-carboxylate
PubChem CID71848549
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namecyclooctyl 6-methyl-4-oxo-1H-pyridine-3-carboxylate
SMILESCc1cc(=O)c(C(=O)OC2CCCCCCC2)c[nH]1
InChIInChI=1S/C15H21NO3/c1-11-9-14(17)13(10-16-11)15(18)19-12-7-5-3-2-4-6-8-12/h9-10,12H,2-8H2,1H3,(H,16,17)
InChIKeyVAVJIGKYXHCWIE-UHFFFAOYSA-N
XLogP2.95
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dicyclohexyl 2,5-dihydroxybenzene-1,4-dicarboxylate
CID 14121494
cyclopentyl 7-iodo-4-oxo-1H-quinoline-3-carboxylate
CID 57172194
dicyclopentyl 2-hydroxy-1,3-dioxoisoindole-5,6-dicarboxylate
CID 22247185
N-(1-cyclopentylethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 113247219
cyclohexyl 2-fluoro-5-methylbenzoate
CID 62947219
dicyclohexyl furan-3,4-dicarboxylate
CID 71348415
dicyclohexyl benzene-1,2-dicarboxylate;methane
CID 160634913
5-(2-cyclopentylpyrrolidine-1-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103717698
N-amino-N'-cycloheptyl-6-methyl-4-oxo-1H-pyridine-3-carboximidamide
CID 136812700
N-cyclopropyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717557
1-O-cyclohexyl 4-O-methyl 2-methylbenzene-1,4-dicarboxylate
CID 170164863
cyclohexyl 4-oxo-7-phenoxy-1H-quinoline-3-carboxylate
CID 90666496

Frequently Asked Questions

What is the IUPAC name of cyclooctyl 6-methyl-4-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of cyclooctyl 6-methyl-4-oxo-1H-pyridine-3-carboxylate (CID 71848549) is cyclooctyl 6-methyl-4-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for cyclooctyl 6-methyl-4-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for cyclooctyl 6-methyl-4-oxo-1H-pyridine-3-carboxylate is Cc1cc(=O)c(C(=O)OC2CCCCCCC2)c[nH]1.
What is the InChIKey of cyclooctyl 6-methyl-4-oxo-1H-pyridine-3-carboxylate?
The InChIKey is VAVJIGKYXHCWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-9-14(17)13(10-16-11)15(18)19-12-7-5-3-2-4-6-8-12/h9-10,12H,2-8H2,1H3,(H,16,17).
What are the key properties of cyclooctyl 6-methyl-4-oxo-1H-pyridine-3-carboxylate?
cyclooctyl 6-methyl-4-oxo-1H-pyridine-3-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl 6-methyl-4-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 71848549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).