methyl 4-(2-oxo-1-pyridinyl)cyclohexane-1-carboxylate

C13H17NO3 — CID 151418487

IUPACmethyl 4-(2-oxo-1-pyridinyl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(n2ccccc2=O)CC1
InChIInChI=1S/C13H17NO3/c1-17-13(16)10-5-7-11(8-6-10)14-9-3-2-4-12(14)15/h2-4,9-11H,5-8H2,1H3
InChIKeyPAAMCOONPXCRBP-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.75
Rot. Bonds2

About methyl 4-(2-oxo-1-pyridinyl)cyclohexane-1-carboxylate

methyl 4-(2-oxo-1-pyridinyl)cyclohexane-1-carboxylate (PubChem CID 151418487) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is methyl 4-(2-oxo-1-pyridinyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-oxo-1-pyridinyl)cyclohexane-1-carboxylate
PubChem CID151418487
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namemethyl 4-(2-oxo-1-pyridinyl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(n2ccccc2=O)CC1
InChIInChI=1S/C13H17NO3/c1-17-13(16)10-5-7-11(8-6-10)14-9-3-2-4-12(14)15/h2-4,9-11H,5-8H2,1H3
InChIKeyPAAMCOONPXCRBP-UHFFFAOYSA-N
XLogP1.75
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-oxo-1-pyridinyl)cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-(2-oxo-1-pyridinyl)cyclohexane-1-carboxylate (CID 151418487) is methyl 4-(2-oxo-1-pyridinyl)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-(2-oxo-1-pyridinyl)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-(2-oxo-1-pyridinyl)cyclohexane-1-carboxylate is COC(=O)C1CCC(n2ccccc2=O)CC1.
What is the InChIKey of methyl 4-(2-oxo-1-pyridinyl)cyclohexane-1-carboxylate?
The InChIKey is PAAMCOONPXCRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-17-13(16)10-5-7-11(8-6-10)14-9-3-2-4-12(14)15/h2-4,9-11H,5-8H2,1H3.
What are the key properties of methyl 4-(2-oxo-1-pyridinyl)cyclohexane-1-carboxylate?
methyl 4-(2-oxo-1-pyridinyl)cyclohexane-1-carboxylate has a molecular weight of 235.28 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-oxo-1-pyridinyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 151418487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).