methyl 1-cyclobutyl-2-oxopyridine-3-carboxylate

C11H13NO3 — CID 139390457

IUPACmethyl 1-cyclobutyl-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cccn(C2CCC2)c1=O
InChIInChI=1S/C11H13NO3/c1-15-11(14)9-6-3-7-12(10(9)13)8-4-2-5-8/h3,6-8H,2,4-5H2,1H3
InChIKeyQQJOXZGRUAZHLD-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.36
Rot. Bonds2

About methyl 1-cyclobutyl-2-oxopyridine-3-carboxylate

methyl 1-cyclobutyl-2-oxopyridine-3-carboxylate (PubChem CID 139390457) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is methyl 1-cyclobutyl-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-cyclobutyl-2-oxopyridine-3-carboxylate
PubChem CID139390457
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Namemethyl 1-cyclobutyl-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cccn(C2CCC2)c1=O
InChIInChI=1S/C11H13NO3/c1-15-11(14)9-6-3-7-12(10(9)13)8-4-2-5-8/h3,6-8H,2,4-5H2,1H3
InChIKeyQQJOXZGRUAZHLD-UHFFFAOYSA-N
XLogP1.36
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[(1S,3S)-3-hydroxycyclohexyl]-2-oxopyridine-3-carboxylate
CID 139373575
methyl 1-[(1S,3S)-3-methylcyclohexyl]-2-oxopyridine-3-carboxylate
CID 158924385
methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate
CID 137450552
methyl 1-(3-methoxycyclohexyl)-2-oxopyridine-3-carboxylate
CID 137449925
methyl 1-[(1R,2R)-2-methoxycyclopentyl]-2-oxopyridine-3-carboxylate
CID 137457337
methyl 2-oxo-1-[(3S)-oxolan-3-yl]pyridine-3-carboxylate
CID 146327520
methyl 1-cyclobutylpyrrole-2-carboxylate
CID 114609410
1-cyclohexyl-2-oxopyridine-3-carboxylic acid;hydrochloride
CID 70588854
methyl 1-[(4R)-3-fluoro-1-methylpiperidin-4-yl]-2-oxopyridine-3-carboxylate
CID 137450635
methyl 1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylate
CID 137450691
methyl 1-[3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxopyridine-3-carboxylate
CID 137450693
methyl 7-cyclopentyl-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate
CID 66498695

Frequently Asked Questions

What is the IUPAC name of methyl 1-cyclobutyl-2-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-cyclobutyl-2-oxopyridine-3-carboxylate (CID 139390457) is methyl 1-cyclobutyl-2-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-cyclobutyl-2-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-cyclobutyl-2-oxopyridine-3-carboxylate is COC(=O)c1cccn(C2CCC2)c1=O.
What is the InChIKey of methyl 1-cyclobutyl-2-oxopyridine-3-carboxylate?
The InChIKey is QQJOXZGRUAZHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-15-11(14)9-6-3-7-12(10(9)13)8-4-2-5-8/h3,6-8H,2,4-5H2,1H3.
What are the key properties of methyl 1-cyclobutyl-2-oxopyridine-3-carboxylate?
methyl 1-cyclobutyl-2-oxopyridine-3-carboxylate has a molecular weight of 207.23 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-cyclobutyl-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 139390457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).