[(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

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

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Related Compounds

1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-pyridin-2-ylbutan-1-one
CID 67188253
(1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1-pyridin-2-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 67284066
5-methyl-N'-phenyl-2-propan-2-ylcyclohexane-1-carbohydrazide
CID 175475904
[(1R,2S)-2-phenylcyclopropyl]-pyridin-2-ylmethanone
CID 1471621
4-methyl-2-[3-(5-methyl-2-propan-2-ylcyclohexyl)buta-1,3-dien-2-yl]-1-propan-2-ylcyclohexane
CID 54004505
[(1R,2R,3R,4S)-3-propan-2-yl-2-bicyclo[2.2.1]heptanyl]-pyridin-2-ylmethanone
CID 46187279
5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 66645461
N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 21079958
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] (1R,4S)-3-pyridin-2-ylsulfanylbicyclo[2.2.1]hepta-2,5-diene-2-carboxylate
CID 10762547
(1R,2S,5R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 59992313
N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;ethane
CID 91604695
5-methyl-N-(2-phenylethyl)-2-propan-2-ylcyclohexane-1-carboxamide
CID 68625601

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).