[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-pyridin-2-ylmethanone

C16H23NO — CID 10955833

IUPAC[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-pyridin-2-ylmethanone
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@H]1C(=O)c1ccccn1
InChIInChI=1S/C16H23NO/c1-11(2)13-8-7-12(3)10-14(13)16(18)15-6-4-5-9-17-15/h4-6,9,11-14H,7-8,10H2,1-3H3/t12-,13+,14+/m1/s1
InChIKeyFWBSEYAUOGHPIW-RDBSUJKOSA-N
MW245.37 g/mol
LogP3.97
Rot. Bonds3

About [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-pyridin-2-ylmethanone

[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-pyridin-2-ylmethanone (PubChem CID 10955833) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-pyridin-2-ylmethanone
PubChem CID10955833
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-pyridin-2-ylmethanone
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@H]1C(=O)c1ccccn1
InChIInChI=1S/C16H23NO/c1-11(2)13-8-7-12(3)10-14(13)16(18)15-6-4-5-9-17-15/h4-6,9,11-14H,7-8,10H2,1-3H3/t12-,13+,14+/m1/s1
InChIKeyFWBSEYAUOGHPIW-RDBSUJKOSA-N
XLogP3.97
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-pyridin-2-ylmethanone?
The IUPAC name of [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-pyridin-2-ylmethanone (CID 10955833) is [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-pyridin-2-ylmethanone?
The canonical SMILES for [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-pyridin-2-ylmethanone is CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1C(=O)c1ccccn1.
What is the InChIKey of [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-pyridin-2-ylmethanone?
The InChIKey is FWBSEYAUOGHPIW-RDBSUJKOSA-N. The full InChI is InChI=1S/C16H23NO/c1-11(2)13-8-7-12(3)10-14(13)16(18)15-6-4-5-9-17-15/h4-6,9,11-14H,7-8,10H2,1-3H3/t12-,13+,14+/m1/s1.
What are the key properties of [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-pyridin-2-ylmethanone?
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-pyridin-2-ylmethanone has a molecular weight of 245.37 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-pyridin-2-ylmethanone is sourced from PubChem (CID 10955833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).