[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-oxopyridine-1-carboxylate

C16H23NO3 — CID 122368533

IUPAC[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-oxopyridine-1-carboxylate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)n1ccccc1=O
InChIInChI=1S/C16H23NO3/c1-11(2)13-8-7-12(3)10-14(13)20-16(19)17-9-5-4-6-15(17)18/h4-6,9,11-14H,7-8,10H2,1-3H3/t12-,13+,14-/m1/s1
InChIKeyLJUTWNNZXYNYCZ-HZSPNIEDSA-N
MW277.36 g/mol
LogP3.29
Rot. Bonds2

About [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-oxopyridine-1-carboxylate

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-oxopyridine-1-carboxylate (PubChem CID 122368533) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-oxopyridine-1-carboxylate.

Molecular Properties

Compound Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-oxopyridine-1-carboxylate
PubChem CID122368533
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-oxopyridine-1-carboxylate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)n1ccccc1=O
InChIInChI=1S/C16H23NO3/c1-11(2)13-8-7-12(3)10-14(13)20-16(19)17-9-5-4-6-15(17)18/h4-6,9,11-14H,7-8,10H2,1-3H3/t12-,13+,14-/m1/s1
InChIKeyLJUTWNNZXYNYCZ-HZSPNIEDSA-N
XLogP3.29
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-oxopyridine-1-carboxylate?
The IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-oxopyridine-1-carboxylate (CID 122368533) is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-oxopyridine-1-carboxylate.
What is the SMILES notation for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-oxopyridine-1-carboxylate?
The canonical SMILES for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-oxopyridine-1-carboxylate is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)n1ccccc1=O.
What is the InChIKey of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-oxopyridine-1-carboxylate?
The InChIKey is LJUTWNNZXYNYCZ-HZSPNIEDSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11(2)13-8-7-12(3)10-14(13)20-16(19)17-9-5-4-6-15(17)18/h4-6,9,11-14H,7-8,10H2,1-3H3/t12-,13+,14-/m1/s1.
What are the key properties of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-oxopyridine-1-carboxylate?
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-oxopyridine-1-carboxylate has a molecular weight of 277.36 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-oxopyridine-1-carboxylate is sourced from PubChem (CID 122368533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).