(4-propylcyclohexyl)methyl 2-oxopyridine-1-carboxylate

C16H23NO3 — CID 118915555

IUPAC(4-propylcyclohexyl)methyl 2-oxopyridine-1-carboxylate
SMILESCCCC1CCC(COC(=O)n2ccccc2=O)CC1
InChIInChI=1S/C16H23NO3/c1-2-5-13-7-9-14(10-8-13)12-20-16(19)17-11-4-3-6-15(17)18/h3-4,6,11,13-14H,2,5,7-10,12H2,1H3
InChIKeyCMEZSOCCBBIBKH-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.44
Rot. Bonds4

About (4-propylcyclohexyl)methyl 2-oxopyridine-1-carboxylate

(4-propylcyclohexyl)methyl 2-oxopyridine-1-carboxylate (PubChem CID 118915555) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (4-propylcyclohexyl)methyl 2-oxopyridine-1-carboxylate.

Molecular Properties

Compound Name(4-propylcyclohexyl)methyl 2-oxopyridine-1-carboxylate
PubChem CID118915555
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(4-propylcyclohexyl)methyl 2-oxopyridine-1-carboxylate
SMILESCCCC1CCC(COC(=O)n2ccccc2=O)CC1
InChIInChI=1S/C16H23NO3/c1-2-5-13-7-9-14(10-8-13)12-20-16(19)17-11-4-3-6-15(17)18/h3-4,6,11,13-14H,2,5,7-10,12H2,1H3
InChIKeyCMEZSOCCBBIBKH-UHFFFAOYSA-N
XLogP3.44
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-propylcyclohexyl)methyl 2-oxopyridine-1-carboxylate?
The IUPAC name of (4-propylcyclohexyl)methyl 2-oxopyridine-1-carboxylate (CID 118915555) is (4-propylcyclohexyl)methyl 2-oxopyridine-1-carboxylate.
What is the SMILES notation for (4-propylcyclohexyl)methyl 2-oxopyridine-1-carboxylate?
The canonical SMILES for (4-propylcyclohexyl)methyl 2-oxopyridine-1-carboxylate is CCCC1CCC(COC(=O)n2ccccc2=O)CC1.
What is the InChIKey of (4-propylcyclohexyl)methyl 2-oxopyridine-1-carboxylate?
The InChIKey is CMEZSOCCBBIBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-5-13-7-9-14(10-8-13)12-20-16(19)17-11-4-3-6-15(17)18/h3-4,6,11,13-14H,2,5,7-10,12H2,1H3.
What are the key properties of (4-propylcyclohexyl)methyl 2-oxopyridine-1-carboxylate?
(4-propylcyclohexyl)methyl 2-oxopyridine-1-carboxylate has a molecular weight of 277.36 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylcyclohexyl)methyl 2-oxopyridine-1-carboxylate is sourced from PubChem (CID 118915555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).